CID 98882

Trans-4-pentylcyclohexanecarboxylic acid

Structural Information

Molecular Formula
C12H22O2
SMILES
CCCCCC1CCC(CC1)C(=O)O
InChI
InChI=1S/C12H22O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
InChIKey
RVLAXPQGTRTHEV-UHFFFAOYSA-N
Compound name
4-pentylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

1122
Patents

198.16199 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 148.4
[M+Na]+ 221.15121 157.6
[M+NH4]+ 216.19581 156.1
[M+K]+ 237.12515 151.6
[M-H]- 197.15471 149.2
[M+Na-2H]- 219.13666 151.4
[M]+ 198.16144 149.6
[M]- 198.16254 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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