CID 136759

Cis-4-tert-butylcyclohexanecarboxylic acid

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

633
Patents

184.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 143.2
[M+Na]+ 207.135548 147.8
[M-H]- 183.139054 144.8
[M+NH4]+ 202.180153 162.6
[M+K]+ 223.109488 146.6
[M+H-H2O]+ 167.143590 138.6
[M+HCOO]- 229.144531 159.4
[M+CH3COO]- 243.160181 180.6
[M+Na-2H]- 205.120996 145.9
[M]+ 184.14578142 139.1
[M]- 184.14687858 139.1
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