CID 136759

943-29-3

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)(C)C1CCC(CC1)C(=O)O
InChI
InChI=1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKey
QVQKEGYITJBHRQ-UHFFFAOYSA-N
Compound name
4-tert-butylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

658
Patents

184.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 143.4
[M+Na]+ 207.13555 152.6
[M+NH4]+ 202.18015 151.1
[M+K]+ 223.10949 148.1
[M-H]- 183.13905 143.7
[M+Na-2H]- 205.12100 146.7
[M]+ 184.14578 144.6
[M]- 184.14688 144.6
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

patents stripe