CID 3053342

69804-10-0

Structural Information

Molecular Formula
C3H9N2O3PS
SMILES
CC(C(=N)N)SP(=O)(O)O
InChI
InChI=1S/C3H9N2O3PS/c1-2(3(4)5)10-9(6,7)8/h2H,1H3,(H3,4,5)(H2,6,7,8)
InChIKey
ZYILACUADWRENE-UHFFFAOYSA-N
Compound name
(1-amino-1-iminopropan-2-yl)sulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.00716 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01444 136.2
[M+Na]+ 206.99638 141.3
[M-H]- 182.99988 132.2
[M+NH4]+ 202.04098 154.2
[M+K]+ 222.97032 139.6
[M+H-H2O]+ 167.00442 128.8
[M+HCOO]- 229.00536 156.5
[M+CH3COO]- 243.02101 179.3
[M+Na-2H]- 204.98183 135.1
[M]+ 184.00661 134.0
[M]- 184.00771 134.0
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.