CID 83669964

4,4-dimethyloxolane-3-carboxylic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CC1(COCC1C(=O)O)C
InChI
InChI=1S/C7H12O3/c1-7(2)4-10-3-5(7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
SESMYJKTBPQWFX-UHFFFAOYSA-N
Compound name
4,4-dimethyloxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.3
[M+Na]+ 167.06786 138.4
[M+NH4]+ 162.11246 138.3
[M+K]+ 183.04180 134.9
[M-H]- 143.07136 130.3
[M+Na-2H]- 165.05331 133.3
[M]+ 144.07809 130.7
[M]- 144.07919 130.7
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.