CID 139429945

Cyclopropylmethanesulfinamide

Structural Information

Molecular Formula
C4H9NOS
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.047756 117.5
[M+Na]+ 142.029698 126.5
[M-H]- 118.033204 122.0
[M+NH4]+ 137.074303 135.0
[M+K]+ 158.003638 124.2
[M+H-H2O]+ 102.037740 111.7
[M+HCOO]- 164.038681 136.8
[M+CH3COO]- 178.054331 173.3
[M+Na-2H]- 140.015146 121.2
[M]+ 119.03993142 119.6
[M]- 119.04102858 119.6
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