CID 54104351

4-oxo-4-(phosphonooxy)butanoic acid

Structural Information

Molecular Formula
C4H7O7P
SMILES
C(CC(=O)OP(=O)(O)O)C(=O)O
InChI
InChI=1S/C4H7O7P/c5-3(6)1-2-4(7)11-12(8,9)10/h1-2H2,(H,5,6)(H2,8,9,10)
InChIKey
NCRLTRUGOQIEKI-UHFFFAOYSA-N
Compound name
4-oxo-4-phosphonooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

197.99294 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.000216 137.0
[M+Na]+ 220.982158 143.6
[M-H]- 196.985664 132.3
[M+NH4]+ 216.026763 154.3
[M+K]+ 236.956098 144.1
[M+H-H2O]+ 180.990200 130.7
[M+HCOO]- 242.991141 160.7
[M+CH3COO]- 257.006791 173.5
[M+Na-2H]- 218.967606 139.0
[M]+ 197.99239142 139.5
[M]- 197.99348858 139.5
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