PubChemLite - 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]+	308.22203	175.5
[M+Na]+	330.20397	182.4
[M-H]-	306.20747	179.6
[M+NH4]+	325.24857	186.1
[M+K]+	346.17791	176.6
[M+H-H2O]+	290.21201	169.0
[M+HCOO]-	352.21295	191.5
[M+CH3COO]-	366.22860	208.6
[M+Na-2H]-	328.18942	170.2
[M]+	307.21420	178.8
[M]-	307.21530	178.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

308.22203

175.5

[M+Na]+

330.20397

182.4

[M-H]-

306.20747

179.6

[M+NH4]+

325.24857

186.1

[M+K]+

346.17791

176.6

[M+H-H2O]+

290.21201

169.0

[M+HCOO]-

352.21295

191.5

[M+CH3COO]-

366.22860

208.6

[M+Na-2H]-

328.18942

170.2

[M]+

307.21420

178.8

[M]-

307.21530

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