CID 6438196

106185-75-5

Structural Information

Molecular Formula

C₁₄H₂₄O

SMILES

CC/C(=C\CC1CC=C(C1(C)C)C)/CO

InChI

InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+

InChIKey

KHQDWCKZXLWDNM-KPKJPENVSA-N

Compound name

(E)-2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 6228
Patents: 208.18271 Da
Monoisotopic Mass: 3.6
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]+	209.189986	151.5
[M+Na]+	231.171928	158.2
[M-H]-	207.175434	153.5
[M+NH4]+	226.216533	174.1
[M+K]+	247.145868	155.0
[M+H-H2O]+	191.179970	147.4
[M+HCOO]-	253.180911	171.6
[M+CH3COO]-	267.196561	187.4
[M+Na-2H]-	229.157376	152.0
[M]+	208.18216142	151.6
[M]-	208.18325858	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe