CID 61791966

1-cyano-n-cyclopropylmethanesulfonamide

Structural Information

Molecular Formula

C₅H₈N₂O₂S

SMILES

C1CC1NS(=O)(=O)CC#N

InChI

InChI=1S/C5H8N2O2S/c6-3-4-10(8,9)7-5-1-2-5/h5,7H,1-2,4H2

InChIKey

FQCUUKUCRYNZBT-UHFFFAOYSA-N

Compound name

1-cyano-N-cyclopropylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.03065 Da
Monoisotopic Mass: 0.2
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]+	161.037926	132.5
[M+Na]+	183.019868	147.4
[M-H]-	159.023374	139.4
[M+NH4]+	178.064473	148.8
[M+K]+	198.993808	142.7
[M+H-H2O]+	143.027910	123.3
[M+HCOO]-	205.028851	150.3
[M+CH3COO]-	219.044501	190.9
[M+Na-2H]-	181.005316	139.4
[M]+	160.03010142	133.3
[M]-	160.03119858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.