CID 68859160

1-cyanocyclopropane-1-sulfonamide

Structural Information

Molecular Formula

C₄H₆N₂O₂S

SMILES

C1CC1(C#N)S(=O)(=O)N

InChI

InChI=1S/C4H6N2O2S/c5-3-4(1-2-4)9(6,7)8/h1-2H2,(H2,6,7,8)

InChIKey

FEVQHSPHSYONQD-UHFFFAOYSA-N

Compound name

1-cyanocyclopropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 146.015 Da
Monoisotopic Mass: -0.9
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]+	147.02228	129.5
[M+Na]+	169.00422	139.1
[M+NH4]+	164.04882	135.5
[M+K]+	184.97816	131.2
[M-H]-	145.00772	129.0
[M+Na-2H]-	166.98967	134.9
[M]+	146.01445	131.3
[M]-	146.01555	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe