CID 54439398

Propane-2-sulfinamide

Structural Information

Molecular Formula

SMILES

CC(C)S(=O)N

InChI

InChI=1S/C3H9NOS/c1-3(2)6(4)5/h3H,4H2,1-2H3

InChIKey

LFILDSDQMSCNBV-UHFFFAOYSA-N

Compound name

propane-2-sulfinamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 654
Patents: 107.04048 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]+	108.047756	119.1
[M+Na]+	130.029698	126.3
[M-H]-	106.033204	119.4
[M+NH4]+	125.074303	141.9
[M+K]+	146.003638	126.0
[M+H-H2O]+	90.037740	114.4
[M+HCOO]-	152.038681	136.8
[M+CH3COO]-	166.054331	168.9
[M+Na-2H]-	128.015146	120.8
[M]+	107.03993142	118.8
[M]-	107.04102858	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe