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]+ 175.06011 132.8
[M+Na]+ 197.04205 137.7
[M-H]- 173.04555 135.6
[M+NH4]+ 192.08665 146.0
[M+K]+ 213.01599 142.7
[M+H-H2O]+ 157.05009 123.7
[M+HCOO]- 219.05103 151.5
[M+CH3COO]- 233.06668 178.1
[M+Na-2H]- 195.02750 138.3
[M]+ 174.05228 143.5
[M]- 174.05338 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.