CID 19909136

3-oxo-1-phosphonocyclopentanecarboxylic acid

Structural Information

Molecular Formula
C6H9O6P
SMILES
C1CC(CC1=O)(C(=O)O)P(=O)(O)O
InChI
InChI=1S/C6H9O6P/c7-4-1-2-6(3-4,5(8)9)13(10,11)12/h1-3H2,(H,8,9)(H2,10,11,12)
InChIKey
TVMPVGRKCUJPPR-UHFFFAOYSA-N
Compound name
3-oxo-1-phosphonocyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

208.01367 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02095 139.8
[M+Na]+ 231.00289 146.6
[M-H]- 207.00639 138.3
[M+NH4]+ 226.04749 160.4
[M+K]+ 246.97683 145.8
[M+H-H2O]+ 191.01093 134.9
[M+HCOO]- 253.01187 162.8
[M+CH3COO]- 267.02752 174.2
[M+Na-2H]- 228.98834 141.9
[M]+ 208.01312 138.3
[M]- 208.01422 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe