CID 114341

Epsilon-sulfanilamidocapronitrile hydrochloride

Structural Information

Molecular Formula
C12H17N3O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NCCCCCC#N
InChI
InChI=1S/C12H17N3O2S/c13-9-3-1-2-4-10-15-18(16,17)12-7-5-11(14)6-8-12/h5-8,15H,1-4,10,14H2
InChIKey
JELHYNVAUCAIOZ-UHFFFAOYSA-N
Compound name
4-amino-N-(5-cyanopentyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10416 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.111436 167.7
[M+Na]+ 290.093378 175.6
[M-H]- 266.096884 170.4
[M+NH4]+ 285.137983 182.1
[M+K]+ 306.067318 171.9
[M+H-H2O]+ 250.101420 154.3
[M+HCOO]- 312.102361 182.8
[M+CH3COO]- 326.118011 209.1
[M+Na-2H]- 288.078826 170.0
[M]+ 267.10361142 164.0
[M]- 267.10470858 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.