CID 174410

2-ethyl-2-prenyl-3-hexenol

Structural Information

Molecular Formula

C₁₃H₂₄O

SMILES

CCC=CC(CC)(CC=C(C)C)CO

InChI

InChI=1S/C13H24O/c1-5-7-9-13(6-2,11-14)10-8-12(3)4/h7-9,14H,5-6,10-11H2,1-4H3

InChIKey

FVVHZRFAPSXWTL-UHFFFAOYSA-N

Compound name

2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 302
Patents: 196.18271 Da
Monoisotopic Mass: 4.0
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]+	197.189986	151.8
[M+Na]+	219.171928	156.8
[M-H]-	195.175434	150.0
[M+NH4]+	214.216533	171.0
[M+K]+	235.145868	153.9
[M+H-H2O]+	179.179970	147.4
[M+HCOO]-	241.180911	170.0
[M+CH3COO]-	255.196561	185.6
[M+Na-2H]-	217.157376	154.2
[M]+	196.18216142	152.6
[M]-	196.18325858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe