CID 137935596

2253629-98-8

Structural Information

Molecular Formula
C7H10O5
SMILES
CCOC(=O)C1(CCO1)C(=O)O
InChI
InChI=1S/C7H10O5/c1-2-11-6(10)7(5(8)9)3-4-12-7/h2-4H2,1H3,(H,8,9)
InChIKey
KTQBHKIYQIWTEG-UHFFFAOYSA-N
Compound name
2-ethoxycarbonyloxetane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.05283 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.060106 132.8
[M+Na]+ 197.042048 137.7
[M-H]- 173.045554 135.6
[M+NH4]+ 192.086653 146.0
[M+K]+ 213.015988 142.7
[M+H-H2O]+ 157.050090 123.7
[M+HCOO]- 219.051031 151.5
[M+CH3COO]- 233.066681 178.1
[M+Na-2H]- 195.027496 138.3
[M]+ 174.05228142 143.5
[M]- 174.05337858 143.5
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.