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: 33
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]+	135.022276	130.0
[M+Na]+	157.004218	139.8
[M-H]-	133.007724	131.4
[M+NH4]+	152.048823	149.7
[M+K]+	172.978158	139.6
[M+H-H2O]+	117.012260	119.0
[M+HCOO]-	179.013201	145.5
[M+CH3COO]-	193.028851	183.3
[M+Na-2H]-	154.989666	134.3
[M]+	134.01445142	126.2
[M]-	134.01554858	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe