CID 53787101

Propane-1-sulfinamide

Structural Information

Molecular Formula
C3H9NOS
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

151
Patents

107.04048 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.047756 118.6
[M+Na]+ 130.029698 126.1
[M-H]- 106.033204 118.9
[M+NH4]+ 125.074303 141.5
[M+K]+ 146.003638 125.3
[M+H-H2O]+ 90.037740 113.9
[M+HCOO]- 152.038681 137.4
[M+CH3COO]- 166.054331 168.0
[M+Na-2H]- 128.015146 121.5
[M]+ 107.03993142 119.0
[M]- 107.04102858 119.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe