CID 3051050

67242-50-6

Structural Information

Molecular Formula
C4H12NPS2
SMILES
CN(C)P(=S)(C)SC
InChI
InChI=1S/C4H12NPS2/c1-5(2)6(3,7)8-4/h1-4H3
InChIKey
PRBOERSVRPIOSO-UHFFFAOYSA-N
Compound name
N-methyl-N-[methyl(methylsulfanyl)phosphinothioyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.01488 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02216 129.6
[M+Na]+ 192.00410 136.8
[M-H]- 168.00760 130.4
[M+NH4]+ 187.04870 151.6
[M+K]+ 207.97804 135.2
[M+H-H2O]+ 152.01214 121.8
[M+HCOO]- 214.01308 148.2
[M+CH3COO]- 228.02873 184.6
[M+Na-2H]- 189.98955 128.5
[M]+ 169.01433 133.1
[M]- 169.01543 133.1
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

No patent data available for this compound.