CID 83815487

3-cyclopropyloxolane-3-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CC1C2(CCOC2)C(=O)O
InChI
InChI=1S/C8H12O3/c9-7(10)8(6-1-2-6)3-4-11-5-8/h6H,1-5H2,(H,9,10)
InChIKey
QVYAOHBRWDBGQL-UHFFFAOYSA-N
Compound name
3-cyclopropyloxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 130.6
[M+Na]+ 179.067858 138.6
[M-H]- 155.071364 137.4
[M+NH4]+ 174.112463 148.0
[M+K]+ 195.041798 138.6
[M+H-H2O]+ 139.075900 126.2
[M+HCOO]- 201.076841 150.4
[M+CH3COO]- 215.092491 174.4
[M+Na-2H]- 177.053306 136.2
[M]+ 156.07809142 131.5
[M]- 156.07918858 131.5
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.