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]+ 185.014436 136.2
[M+Na]+ 206.996378 141.3
[M-H]- 182.999884 132.2
[M+NH4]+ 202.040983 154.2
[M+K]+ 222.970318 139.6
[M+H-H2O]+ 167.004420 128.8
[M+HCOO]- 229.005361 156.5
[M+CH3COO]- 243.021011 179.3
[M+Na-2H]- 204.981826 135.1
[M]+ 184.00661142 134.0
[M]- 184.00770858 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.