CID 54439398

Propane-2-sulfinamide

Structural Information

Molecular Formula
C3H9NOS
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

290
Patents

107.04048 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.04776 120.1
[M+Na]+ 130.02970 128.8
[M+NH4]+ 125.07430 128.4
[M+K]+ 146.00364 123.2
[M-H]- 106.03320 119.9
[M+Na-2H]- 128.01515 122.8
[M]+ 107.03993 121.4
[M]- 107.04103 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe