CID 85464

16508-97-7

Structural Information

Molecular Formula
C12H20O3
SMILES
C1CCC(CC1)C(=O)OC2(CCCC2)O
InChI
InChI=1S/C12H20O3/c13-11(10-6-2-1-3-7-10)15-12(14)8-4-5-9-12/h10,14H,1-9H2
InChIKey
WJQYROTXDHVIDL-UHFFFAOYSA-N
Compound name
(1-hydroxycyclopentyl) cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 151.7
[M+Na]+ 235.13047 154.4
[M-H]- 211.13397 155.5
[M+NH4]+ 230.17507 172.5
[M+K]+ 251.10441 152.9
[M+H-H2O]+ 195.13851 146.1
[M+HCOO]- 257.13945 168.5
[M+CH3COO]- 271.15510 180.2
[M+Na-2H]- 233.11592 152.7
[M]+ 212.14070 145.0
[M]- 212.14180 145.0
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.