CID 11557316

3-cyanopropane-1-sulfonamide

Structural Information

Molecular Formula

C₄H₈N₂O₂S

SMILES

C(CC#N)CS(=O)(=O)N

InChI

InChI=1S/C4H8N2O2S/c5-3-1-2-4-9(6,7)8/h1-2,4H2,(H2,6,7,8)

InChIKey

GRLBVVXKOWNAMG-UHFFFAOYSA-N

Compound name

3-cyanopropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 148.03065 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

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]+	149.03793	127.8
[M+Na]+	171.01987	135.7
[M+NH4]+	166.06447	131.4
[M+K]+	186.99381	127.6
[M-H]-	147.02337	119.4
[M+Na-2H]-	169.00532	128.2
[M]+	148.03010	125.8
[M]-	148.03120	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe