CID 512084

Phosphinecarboxylic acid, dihydroxy-, 1-methylethyl ester, oxide

Structural Information

Molecular Formula
C4H9O5P
SMILES
CC(C)OC(=O)P(=O)(O)O
InChI
InChI=1S/C4H9O5P/c1-3(2)9-4(5)10(6,7)8/h3H,1-2H3,(H2,6,7,8)
InChIKey
PQUZYLCCYGSNMV-UHFFFAOYSA-N
Compound name
propan-2-yloxycarbonylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

168.01875 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02603 133.7
[M+Na]+ 191.00797 140.8
[M-H]- 167.01147 130.6
[M+NH4]+ 186.05257 153.3
[M+K]+ 206.98191 141.6
[M+H-H2O]+ 151.01601 127.8
[M+HCOO]- 213.01695 158.3
[M+CH3COO]- 227.03260 172.4
[M+Na-2H]- 188.99342 135.8
[M]+ 168.01820 136.0
[M]- 168.01930 136.0
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