CID 5

3-amino-2-oxopropyl phosphate

Structural Information

Molecular Formula
C3H8NO5P
SMILES
C(C(=O)COP(=O)(O)O)N
InChI
InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)
InChIKey
HIQNVODXENYOFK-UHFFFAOYSA-N
Compound name
(3-amino-2-oxopropyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

14
Patents

169.014 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02128 133.1
[M+Na]+ 192.00322 139.7
[M-H]- 168.00672 129.3
[M+NH4]+ 187.04782 151.8
[M+K]+ 207.97716 139.9
[M+H-H2O]+ 152.01126 126.5
[M+HCOO]- 214.01220 159.2
[M+CH3COO]- 228.02785 173.7
[M+Na-2H]- 189.98867 135.9
[M]+ 169.01345 133.7
[M]- 169.01455 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe