CID 121552693

2-(oxolan-2-yl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C11H18O3
SMILES
C1CCC(C(C1)C2CCCO2)C(=O)O
InChI
InChI=1S/C11H18O3/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h8-10H,1-7H2,(H,12,13)
InChIKey
QVNRMKWKXMLDGZ-UHFFFAOYSA-N
Compound name
2-(oxolan-2-yl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 145.6
[M+Na]+ 221.11482 148.7
[M-H]- 197.11832 150.3
[M+NH4]+ 216.15942 164.0
[M+K]+ 237.08876 148.2
[M+H-H2O]+ 181.12286 139.9
[M+HCOO]- 243.12380 161.9
[M+CH3COO]- 257.13945 179.5
[M+Na-2H]- 219.10027 146.4
[M]+ 198.12505 139.3
[M]- 198.12615 139.3
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

No patent data available for this compound.