CID 447809

3-methylphosphoenolpyruvate

Structural Information

Molecular Formula
C4H7O6P
SMILES
C/C=C(/C(=O)O)\OP(=O)(O)O
InChI
InChI=1S/C4H7O6P/c1-2-3(4(5)6)10-11(7,8)9/h2H,1H3,(H,5,6)(H2,7,8,9)/b3-2-
InChIKey
FGYIHYXZLMDROB-IHWYPQMZSA-N
Compound name
(Z)-2-phosphonooxybut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

181.99803 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00531 135.3
[M+Na]+ 204.98725 142.1
[M-H]- 180.99075 130.7
[M+NH4]+ 200.03185 153.4
[M+K]+ 220.96119 142.0
[M+H-H2O]+ 164.99529 129.3
[M+HCOO]- 226.99623 158.8
[M+CH3COO]- 241.01188 171.2
[M+Na-2H]- 202.97270 137.0
[M]+ 181.99748 136.4
[M]- 181.99858 136.4
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