CID 94769

Cyclohexanepentanoic acid

Structural Information

Molecular Formula
C11H20O2
SMILES
C1CCC(CC1)CCCCC(=O)O
InChI
InChI=1S/C11H20O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13)
InChIKey
YMUHUYBRWUUAJF-UHFFFAOYSA-N
Compound name
5-cyclohexylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

623
Patents

184.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 144.9
[M+Na]+ 207.13555 147.9
[M-H]- 183.13905 145.6
[M+NH4]+ 202.18015 163.6
[M+K]+ 223.10949 146.2
[M+H-H2O]+ 167.14359 139.1
[M+HCOO]- 229.14453 162.6
[M+CH3COO]- 243.16018 179.8
[M+Na-2H]- 205.12100 147.3
[M]+ 184.14578 140.9
[M]- 184.14688 140.9
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.