CID 57216831

2-cyanoethane-1-sulfonamide

Structural Information

Molecular Formula

C₃H₆N₂O₂S

SMILES

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

InChI

InChI=1S/C3H6N2O2S/c4-2-1-3-8(5,6)7/h1,3H2,(H2,5,6,7)

InChIKey

LQVQJTDKXVPNIL-UHFFFAOYSA-N

Compound name

2-cyanoethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 134.015 Da
Monoisotopic Mass: -1.4
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]+	135.02228	124.0
[M+Na]+	157.00422	132.1
[M+NH4]+	152.04882	127.7
[M+K]+	172.97816	124.2
[M-H]-	133.00772	115.7
[M+Na-2H]-	154.98967	124.6
[M]+	134.01445	122.0
[M]-	134.01555	122.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe