CID 360637

1-carboxylatovinyl carboxylatophosphonate(3-)

Structural Information

Molecular Formula
C4H5O7P
SMILES
C=C(C(=O)O)OP(=O)(C(=O)O)O
InChI
InChI=1S/C4H5O7P/c1-2(3(5)6)11-12(9,10)4(7)8/h1H2,(H,5,6)(H,7,8)(H,9,10)
InChIKey
LPUFGTSGSICQBX-UHFFFAOYSA-N
Compound name
2-[carboxy(hydroxy)phosphoryl]oxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

6
Patents

195.9773 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.98458 134.6
[M+Na]+ 218.96652 141.2
[M-H]- 194.97002 130.0
[M+NH4]+ 214.01112 151.7
[M+K]+ 234.94046 141.6
[M+H-H2O]+ 178.97456 128.5
[M+HCOO]- 240.97550 157.4
[M+CH3COO]- 254.99115 174.2
[M+Na-2H]- 216.95197 135.5
[M]+ 195.97675 135.8
[M]- 195.97785 135.8
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