CID 81526

Trans-4-isopropylcyclohexanecarboxylic acid

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)C1CCC(CC1)C(=O)O
InChI
InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKey
YRQKWRUZZCBSIG-UHFFFAOYSA-N
Compound name
4-propan-2-ylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

332
Patents

170.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 139.5
[M+Na]+ 193.11990 148.8
[M+NH4]+ 188.16450 147.4
[M+K]+ 209.09384 144.1
[M-H]- 169.12340 140.2
[M+Na-2H]- 191.10535 142.7
[M]+ 170.13013 140.7
[M]- 170.13123 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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