CID 11971200

4-(isopropyl)cyclohexadieneethanol

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CC(C)C1=CC=C(CC1)CCO

InChI

InChI=1S/C11H18O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3,5,9,12H,4,6-8H2,1-2H3

InChIKey

OFRCGWBLTNNKGZ-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 166.13577 Da
Monoisotopic Mass: 2.0
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]+	167.14305	138.5
[M+Na]+	189.12499	144.3
[M-H]-	165.12849	140.5
[M+NH4]+	184.16959	158.7
[M+K]+	205.09893	142.3
[M+H-H2O]+	149.13303	133.2
[M+HCOO]-	211.13397	158.7
[M+CH3COO]-	225.14962	179.1
[M+Na-2H]-	187.11044	142.3
[M]+	166.13522	137.1
[M]-	166.13632	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe