(n-crotonyl)-(2r)-bornane-10,2-sultam (C14H21NO3S)

Structural Information

Molecular Formula

SMILES

C/C=C/C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O

InChI

InChI=1S/C14H21NO3S/c1-4-5-12(16)15-11-8-10-6-7-14(11,13(10,2)3)9-19(15,17)18/h4-5,10-11H,6-9H2,1-3H3/b5-4+/t10-,11-,14-/m1/s1

InChIKey

BKPQKSSKLBTRJO-MNKRUUAMSA-N

Compound name

(E)-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]but-2-en-1-one

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]+	284.13148	164.0
[M+Na]+	306.11342	174.2
[M-H]-	282.11692	167.7
[M+NH4]+	301.15802	192.8
[M+K]+	322.08736	170.8
[M+H-H2O]+	266.12146	162.7
[M+HCOO]-	328.12240	177.1
[M+CH3COO]-	342.13805	196.2
[M+Na-2H]-	304.09887	164.2
[M]+	283.12365	168.6
[M]-	283.12475	168.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

284.13148

164.0

[M+Na]+

306.11342

174.2

[M-H]-

282.11692

167.7

[M+NH4]+

301.15802

192.8

[M+K]+

322.08736

170.8

[M+H-H2O]+

266.12146

162.7

[M+HCOO]-

328.12240

177.1

[M+CH3COO]-

342.13805

196.2

[M+Na-2H]-

304.09887

164.2

[M]+

283.12365

168.6

[M]-

283.12475

168.6

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

(n-crotonyl)-(2r)-bornane-10,2-sultam

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe