Hoshinolactam (C18H29NO3)

Structural Information

Molecular Formula

SMILES

CCC[C@H]1C[C@@H]1/C=C/C(=O)O[C@@H]2[C@H](C(=O)N[C@H]2CC(C)C)C

InChI

InChI=1S/C18H29NO3/c1-5-6-13-10-14(13)7-8-16(20)22-17-12(4)18(21)19-15(17)9-11(2)3/h7-8,11-15,17H,5-6,9-10H2,1-4H3,(H,19,21)/b8-7+/t12-,13+,14+,15+,17-/m1/s1

InChIKey

BBMBCHAXOBFQPC-IBGZMIKNSA-N

Compound name

[(2S,3R,4R)-4-methyl-2-(2-methylpropyl)-5-oxopyrrolidin-3-yl] (E)-3-[(1S,2S)-2-propylcyclopropyl]prop-2-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	308.222026	175.5
[M+Na]+	330.203968	182.4
[M-H]-	306.207474	179.6
[M+NH4]+	325.248573	186.1
[M+K]+	346.177908	176.6
[M+H-H2O]+	290.212010	169.0
[M+HCOO]-	352.212951	191.5
[M+CH3COO]-	366.228601	208.6
[M+Na-2H]-	328.189416	170.2
[M]+	307.21420142	178.8
[M]-	307.21529858	178.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

308.222026

175.5

[M+Na]+

330.203968

182.4

[M-H]-

306.207474

179.6

[M+NH4]+

325.248573

186.1

[M+K]+

346.177908

176.6

[M+H-H2O]+

290.212010

169.0

[M+HCOO]-

352.212951

191.5

[M+CH3COO]-

366.228601

208.6

[M+Na-2H]-

328.189416

170.2

[M]+

307.21420142

178.8

[M]-

307.21529858

178.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Hoshinolactam

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe