CID 91704345

1-ethoxy-1-oxo-1lambda5-phospholane-2-carboxylic acid

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]+ 193.06243 139.0
[M+Na]+ 215.04437 146.0
[M-H]- 191.04787 140.0
[M+NH4]+ 210.08897 162.0
[M+K]+ 231.01831 145.6
[M+H-H2O]+ 175.05241 132.9
[M+HCOO]- 237.05335 165.8
[M+CH3COO]- 251.06900 178.3
[M+Na-2H]- 213.02982 139.7
[M]+ 192.05460 140.0
[M]- 192.05570 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.