CID 18780109

5,5-dimethyloxolane-2-carboxylic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CC1(CCC(O1)C(=O)O)C
InChI
InChI=1S/C7H12O3/c1-7(2)4-3-5(10-7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
IZOZPLASXQNPRB-UHFFFAOYSA-N
Compound name
5,5-dimethyloxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

144.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 127.9
[M+Na]+ 167.067858 135.4
[M-H]- 143.071364 131.0
[M+NH4]+ 162.112463 151.2
[M+K]+ 183.041798 136.1
[M+H-H2O]+ 127.075900 124.6
[M+HCOO]- 189.076841 148.3
[M+CH3COO]- 203.092491 170.1
[M+Na-2H]- 165.053306 133.0
[M]+ 144.07809142 127.3
[M]- 144.07918858 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe