CID 106743

2,4-dimethyl-3-cyclohexene-1-methanol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CC1C=C(CCC1CO)C

InChI

InChI=1S/C9H16O/c1-7-3-4-9(6-10)8(2)5-7/h5,8-10H,3-4,6H2,1-2H3

InChIKey

XGRCZWYTJSFHET-UHFFFAOYSA-N

Compound name

(2,4-dimethylcyclohex-3-en-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 592
Patents: 140.12012 Da
Monoisotopic Mass: 1.6
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]+	141.127396	130.3
[M+Na]+	163.109338	137.1
[M-H]-	139.112844	132.5
[M+NH4]+	158.153943	151.8
[M+K]+	179.083278	135.4
[M+H-H2O]+	123.117380	125.6
[M+HCOO]-	185.118321	150.7
[M+CH3COO]-	199.133971	173.7
[M+Na-2H]-	161.094786	134.7
[M]+	140.11957142	127.6
[M]-	140.12066858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe