CID 21133941

39161-17-6

Structural Information

Molecular Formula
C7H12O3
SMILES
CC1(C(CCO1)C(=O)O)C
InChI
InChI=1S/C7H12O3/c1-7(2)5(6(8)9)3-4-10-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
UMNSNBRDICMZHL-UHFFFAOYSA-N
Compound name
2,2-dimethyloxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

144.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 127.9
[M+Na]+ 167.06786 135.4
[M-H]- 143.07136 131.0
[M+NH4]+ 162.11246 151.2
[M+K]+ 183.04180 136.1
[M+H-H2O]+ 127.07590 124.6
[M+HCOO]- 189.07684 148.3
[M+CH3COO]- 203.09249 170.1
[M+Na-2H]- 165.05331 133.0
[M]+ 144.07809 127.3
[M]- 144.07919 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