CID 3053336

69803-91-4

Structural Information

Molecular Formula
C5H13N2O3PS
SMILES
CCCC(C(=N)N)SP(=O)(O)O
InChI
InChI=1S/C5H13N2O3PS/c1-2-3-4(5(6)7)12-11(8,9)10/h4H,2-3H2,1H3,(H3,6,7)(H2,8,9,10)
InChIKey
KTJOMFAPQJJNAX-UHFFFAOYSA-N
Compound name
(1-amino-1-iminopentan-2-yl)sulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03845 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.045726 145.2
[M+Na]+ 235.027668 149.4
[M-H]- 211.031174 140.8
[M+NH4]+ 230.072273 162.1
[M+K]+ 251.001608 147.2
[M+H-H2O]+ 195.035710 137.4
[M+HCOO]- 257.036651 164.8
[M+CH3COO]- 271.052301 185.4
[M+Na-2H]- 233.013116 143.2
[M]+ 212.03790142 143.7
[M]- 212.03899858 143.7
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.