CID 152623

65359-99-1

Structural Information

Molecular Formula
C4H9O5P
SMILES
CCOP(=O)(CC(=O)O)O
InChI
InChI=1S/C4H9O5P/c1-2-9-10(7,8)3-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)
InChIKey
YLAHEMNFTNVLCV-UHFFFAOYSA-N
Compound name
2-[ethoxy(hydroxy)phosphoryl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

168.01875 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02603 133.9
[M+Na]+ 191.00797 141.1
[M-H]- 167.01147 130.6
[M+NH4]+ 186.05257 153.4
[M+K]+ 206.98191 141.4
[M+H-H2O]+ 151.01601 127.8
[M+HCOO]- 213.01695 159.4
[M+CH3COO]- 227.03260 172.2
[M+Na-2H]- 188.99342 137.1
[M]+ 168.01820 136.9
[M]- 168.01930 136.9
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