CID 13918270

Ghppt

Structural Information

Molecular Formula
C5H12NO5P
SMILES
CP(=O)(C(CC(C(=O)O)N)O)O
InChI
InChI=1S/C5H12NO5P/c1-12(10,11)4(7)2-3(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)(H,10,11)
InChIKey
ZFYMZQBTTYLNFW-UHFFFAOYSA-N
Compound name
2-amino-4-hydroxy-4-[hydroxy(methyl)phosphoryl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

197.0453 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.052576 143.7
[M+Na]+ 220.034518 148.6
[M-H]- 196.038024 138.2
[M+NH4]+ 215.079123 160.4
[M+K]+ 236.008458 148.5
[M+H-H2O]+ 180.042560 137.1
[M+HCOO]- 242.043501 165.6
[M+CH3COO]- 256.059151 179.3
[M+Na-2H]- 218.019966 142.4
[M]+ 197.04475142 141.7
[M]- 197.04584858 141.7
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

patents stripe