CID 22216438

27392-15-0

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)O

InChI

InChI=1S/C11H20O2/c1-11(2,3)9-7-5-4-6-8(9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)/t8-,9+/m0/s1

InChIKey

FVPFFBYHXHQMCY-DTWKUNHWSA-N

Compound name

(1S,2R)-2-tert-butylcyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 184.14633 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.15361	143.2
[M+Na]+	207.13555	147.8
[M-H]-	183.13905	144.8
[M+NH4]+	202.18015	162.6
[M+K]+	223.10949	146.6
[M+H-H2O]+	167.14359	138.6
[M+HCOO]-	229.14453	159.4
[M+CH3COO]-	243.16018	180.6
[M+Na-2H]-	205.12100	145.9
[M]+	184.14578	139.1
[M]-	184.14688	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe