CID 75450915

(1-cyanocyclopropyl)methanesulfonamide

Structural Information

Molecular Formula

C₅H₈N₂O₂S

SMILES

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

InChI

InChI=1S/C5H8N2O2S/c6-3-5(1-2-5)4-10(7,8)9/h1-2,4H2,(H2,7,8,9)

InChIKey

PYZWTDCICGGQIN-UHFFFAOYSA-N

Compound name

(1-cyanocyclopropyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.03065 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]+	161.037926	133.9
[M+Na]+	183.019868	149.4
[M-H]-	159.023374	140.6
[M+NH4]+	178.064473	151.6
[M+K]+	198.993808	144.8
[M+H-H2O]+	143.027910	126.0
[M+HCOO]-	205.028851	150.7
[M+CH3COO]-	219.044501	189.9
[M+Na-2H]-	181.005316	141.0
[M]+	160.03010142	134.3
[M]-	160.03119858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.