CID 139429945

Cyclopropylmethanesulfinamide

Structural Information

Molecular Formula

SMILES

C1CC1CS(=O)N

InChI

InChI=1S/C4H9NOS/c5-7(6)3-4-1-2-4/h4H,1-3,5H2

InChIKey

OPOCKKZXUABISL-UHFFFAOYSA-N

Compound name

cyclopropylmethanesulfinamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 119.04048 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]+	120.04776	117.5
[M+Na]+	142.02970	126.5
[M-H]-	118.03320	122.0
[M+NH4]+	137.07430	135.0
[M+K]+	158.00364	124.2
[M+H-H2O]+	102.03774	111.7
[M+HCOO]-	164.03868	136.8
[M+CH3COO]-	178.05433	173.3
[M+Na-2H]-	140.01515	121.2
[M]+	119.03993	119.6
[M]-	119.04103	119.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe