CID 103462

64924-64-7

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

CC1=C(C=CC(=C1C)O)C2(CCCCC2)C

InChI

InChI=1S/C15H22O/c1-11-12(2)14(16)8-7-13(11)15(3)9-5-4-6-10-15/h7-8,16H,4-6,9-10H2,1-3H3

InChIKey

IBXKOKAKJWMSJX-UHFFFAOYSA-N

Compound name

2,3-dimethyl-4-(1-methylcyclohexyl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 218.16707 Da
Monoisotopic Mass: 5.4
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]+	219.17435	151.1
[M+Na]+	241.15629	157.6
[M-H]-	217.15979	156.4
[M+NH4]+	236.20089	171.3
[M+K]+	257.13023	154.1
[M+H-H2O]+	201.16433	145.2
[M+HCOO]-	263.16527	169.6
[M+CH3COO]-	277.18092	188.4
[M+Na-2H]-	239.14174	154.2
[M]+	218.16652	147.3
[M]-	218.16762	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe