CID 91704345

Refchem:432197

Structural Information

Molecular Formula
C7H13O4P
SMILES
CCOP1(=O)CCCC1C(=O)O
InChI
InChI=1S/C7H13O4P/c1-2-11-12(10)5-3-4-6(12)7(8)9/h6H,2-5H2,1H3,(H,8,9)
InChIKey
INTPLVCOBVXQKF-UHFFFAOYSA-N
Compound name
1-ethoxy-1-oxo-1lambda5-phospholane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.05515 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.062426 139.0
[M+Na]+ 215.044368 146.0
[M-H]- 191.047874 140.0
[M+NH4]+ 210.088973 162.0
[M+K]+ 231.018308 145.6
[M+H-H2O]+ 175.052410 132.9
[M+HCOO]- 237.053351 165.8
[M+CH3COO]- 251.069001 178.3
[M+Na-2H]- 213.029816 139.7
[M]+ 192.05460142 140.0
[M]- 192.05569858 140.0
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

No patent data available for this compound.