CID 109264

93840-90-5

Structural Information

Molecular Formula

C₁₄H₂₄O

SMILES

CCC(C=CC1=C(CCCC1(C)C)C)O

InChI

InChI=1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,12,15H,5-7,10H2,1-4H3

InChIKey

DZSNHSUUMHDJRJ-UHFFFAOYSA-N

Compound name

1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 208.18271 Da
Monoisotopic Mass: 3.4
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]+	209.18999	150.7
[M+Na]+	231.17193	156.5
[M-H]-	207.17543	152.5
[M+NH4]+	226.21653	171.5
[M+K]+	247.14587	153.6
[M+H-H2O]+	191.17997	146.2
[M+HCOO]-	253.18091	168.6
[M+CH3COO]-	267.19656	187.7
[M+Na-2H]-	229.15738	152.4
[M]+	208.18216	148.8
[M]-	208.18326	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe