CID 115014247

3-(propan-2-yloxy)oxolane-3-carboxylic acid

Structural Information

Molecular Formula
C8H14O4
SMILES
CC(C)OC1(CCOC1)C(=O)O
InChI
InChI=1S/C8H14O4/c1-6(2)12-8(7(9)10)3-4-11-5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
KCBQLROLGFBFSA-UHFFFAOYSA-N
Compound name
3-propan-2-yloxyoxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0892 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 136.9
[M+Na]+ 197.078418 142.7
[M-H]- 173.081924 139.4
[M+NH4]+ 192.123023 158.5
[M+K]+ 213.052358 144.2
[M+H-H2O]+ 157.086460 133.0
[M+HCOO]- 219.087401 156.2
[M+CH3COO]- 233.103051 175.0
[M+Na-2H]- 195.063866 140.9
[M]+ 174.08865142 137.1
[M]- 174.08974858 137.1
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.