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

415
Patents

184.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 143.7
[M+Na]+ 207.135548 148.2
[M-H]- 183.139054 145.2
[M+NH4]+ 202.180153 164.8
[M+K]+ 223.109488 147.3
[M+H-H2O]+ 167.143590 139.8
[M+HCOO]- 229.144531 159.9
[M+CH3COO]- 243.160181 179.0
[M+Na-2H]- 205.120996 148.2
[M]+ 184.14578142 139.5
[M]- 184.14687858 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