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]+ 199.132876 145.6
[M+Na]+ 221.114818 148.7
[M-H]- 197.118324 150.3
[M+NH4]+ 216.159423 164.0
[M+K]+ 237.088758 148.2
[M+H-H2O]+ 181.122860 139.9
[M+HCOO]- 243.123801 161.9
[M+CH3COO]- 257.139451 179.5
[M+Na-2H]- 219.100266 146.4
[M]+ 198.12505142 139.3
[M]- 198.12614858 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.