CID 106967

67923-53-9

Structural Information

Molecular Formula

C₁₃H₂₂O

SMILES

CC1CC(=CC(C1C=CC(C)O)C)C

InChI

InChI=1S/C13H22O/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h5-7,10-14H,8H2,1-4H3

InChIKey

WQTLBWPUJXRBIN-UHFFFAOYSA-N

Compound name

4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 194.16707 Da
Monoisotopic Mass: 2.7
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]+	195.17435	147.4
[M+Na]+	217.15629	158.6
[M+NH4]+	212.20089	155.6
[M+K]+	233.13023	152.1
[M-H]-	193.15979	149.0
[M+Na-2H]-	215.14174	151.2
[M]+	194.16652	149.3
[M]-	194.16762	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe