CID 185606

27334-43-6

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)(C)C1(CCCCC1)C(=O)O
InChI
InChI=1S/C11H20O2/c1-10(2,3)11(9(12)13)7-5-4-6-8-11/h4-8H2,1-3H3,(H,12,13)
InChIKey
NPRFVBVVQXZPOO-UHFFFAOYSA-N
Compound name
1-tert-butylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

481
Patents

184.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 143.7
[M+Na]+ 207.13555 148.2
[M-H]- 183.13905 145.2
[M+NH4]+ 202.18015 164.8
[M+K]+ 223.10949 147.3
[M+H-H2O]+ 167.14359 139.8
[M+HCOO]- 229.14453 159.9
[M+CH3COO]- 243.16018 179.0
[M+Na-2H]- 205.12100 148.2
[M]+ 184.14578 139.5
[M]- 184.14688 139.5
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

patents stripe