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]+ 213.04573 145.2
[M+Na]+ 235.02767 149.4
[M-H]- 211.03117 140.8
[M+NH4]+ 230.07227 162.1
[M+K]+ 251.00161 147.2
[M+H-H2O]+ 195.03571 137.4
[M+HCOO]- 257.03665 164.8
[M+CH3COO]- 271.05230 185.4
[M+Na-2H]- 233.01312 143.2
[M]+ 212.03790 143.7
[M]- 212.03900 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.