CID 93502

94317-64-3

Structural Information

Molecular Formula
C4H14N3PS
SMILES
CCCCNP(=S)(N)N
InChI
InChI=1S/C4H14N3PS/c1-2-3-4-7-8(5,6)9/h2-4H2,1H3,(H5,5,6,7,9)
InChIKey
HEPPIYNOUFWEPP-UHFFFAOYSA-N
Compound name
N-diaminophosphinothioylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

2210
Patents

167.0646 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07188 134.6
[M+Na]+ 190.05382 140.0
[M-H]- 166.05732 132.6
[M+NH4]+ 185.09842 154.6
[M+K]+ 206.02776 137.5
[M+H-H2O]+ 150.06186 126.5
[M+HCOO]- 212.06280 158.9
[M+CH3COO]- 226.07845 184.7
[M+Na-2H]- 188.03927 134.9
[M]+ 167.06405 132.5
[M]- 167.06515 132.5
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.