CID 121582920

2513-02-2

Structural Information

Molecular Formula
C7H12O3
SMILES
CC1(CC(CO1)C(=O)O)C
InChI
InChI=1S/C7H12O3/c1-7(2)3-5(4-10-7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
AUQQJHAKQFFPOB-UHFFFAOYSA-N
Compound name
5,5-dimethyloxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

144.07864 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

patents stripe