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]+ 175.09648 136.9
[M+Na]+ 197.07842 142.7
[M-H]- 173.08192 139.4
[M+NH4]+ 192.12302 158.5
[M+K]+ 213.05236 144.2
[M+H-H2O]+ 157.08646 133.0
[M+HCOO]- 219.08740 156.2
[M+CH3COO]- 233.10305 175.0
[M+Na-2H]- 195.06387 140.9
[M]+ 174.08865 137.1
[M]- 174.08975 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.