CID 114234

63767-87-3

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CC(C1CCC(CC1)C(C)(C)C)O

InChI

InChI=1S/C12H24O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h9-11,13H,5-8H2,1-4H3

InChIKey

FNBYRKVLUFZUKN-UHFFFAOYSA-N

Compound name

1-(4-tert-butylcyclohexyl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 184.18271 Da
Monoisotopic Mass: 3.8
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]+	185.18999	146.1
[M+Na]+	207.17193	150.0
[M-H]-	183.17543	147.5
[M+NH4]+	202.21653	165.6
[M+K]+	223.14587	148.6
[M+H-H2O]+	167.17997	141.5
[M+HCOO]-	229.18091	161.5
[M+CH3COO]-	243.19656	182.6
[M+Na-2H]-	205.15738	148.1
[M]+	184.18216	141.6
[M]-	184.18326	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe