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

56
Patents

197.99294 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00022 137.0
[M+Na]+ 220.98216 143.6
[M-H]- 196.98566 132.3
[M+NH4]+ 216.02676 154.3
[M+K]+ 236.95610 144.1
[M+H-H2O]+ 180.99020 130.7
[M+HCOO]- 242.99114 160.7
[M+CH3COO]- 257.00679 173.5
[M+Na-2H]- 218.96761 139.0
[M]+ 197.99239 139.5
[M]- 197.99349 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