CID 110710

Phosphonosuccinic acid

Structural Information

Molecular Formula
C4H7O7P
SMILES
C(C(C(=O)O)P(=O)(O)O)C(=O)O
InChI
InChI=1S/C4H7O7P/c5-3(6)1-2(4(7)8)12(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H2,9,10,11)
InChIKey
KMDMOMDSEVTJTI-UHFFFAOYSA-N
Compound name
2-phosphonobutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1569
Patents

197.99294 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00022 137.8
[M+Na]+ 220.98216 143.6
[M-H]- 196.98566 131.6
[M+NH4]+ 216.02676 154.1
[M+K]+ 236.95610 143.8
[M+H-H2O]+ 180.99020 131.7
[M+HCOO]- 242.99114 158.8
[M+CH3COO]- 257.00679 172.9
[M+Na-2H]- 218.96761 137.9
[M]+ 197.99239 137.7
[M]- 197.99349 137.7
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