CID 53787101

Propane-1-sulfinamide

Structural Information

Molecular Formula

SMILES

CCCS(=O)N

InChI

InChI=1S/C3H9NOS/c1-2-3-6(4)5/h2-4H2,1H3

InChIKey

XWRDGWGYYMWOFB-UHFFFAOYSA-N

Compound name

propane-1-sulfinamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 163
Patents: 107.04048 Da
Monoisotopic Mass: 0.0
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]+	108.04776	118.6
[M+Na]+	130.02970	126.1
[M-H]-	106.03320	118.9
[M+NH4]+	125.07430	141.5
[M+K]+	146.00364	125.3
[M+H-H2O]+	90.037740	113.9
[M+HCOO]-	152.03868	137.4
[M+CH3COO]-	166.05433	168.0
[M+Na-2H]-	128.01515	121.5
[M]+	107.03993	119.0
[M]-	107.04103	119.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe