CID 106813

67801-20-1

Structural Information

Molecular Formula

C₁₄H₂₄O

SMILES

CC1=CCC(C1(C)C)C=CC(C)C(C)O

InChI

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

InChIKey

RNLHVODSMDJCBR-UHFFFAOYSA-N

Compound name

3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 2289
Patents: 208.18271 Da
Monoisotopic Mass: 3.3
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	151.5
[M+Na]+	231.17193	157.9
[M-H]-	207.17543	153.7
[M+NH4]+	226.21653	174.1
[M+K]+	247.14587	155.3
[M+H-H2O]+	191.17997	147.6
[M+HCOO]-	253.18091	170.6
[M+CH3COO]-	267.19656	188.3
[M+Na-2H]-	229.15738	150.9
[M]+	208.18216	151.0
[M]-	208.18326	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe