CID 106812

67801-19-8

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CCC(C(=CCC1CC=C(C1(C)C)C)C)O

InChI

InChI=1S/C15H26O/c1-6-14(16)11(2)7-9-13-10-8-12(3)15(13,4)5/h7-8,13-14,16H,6,9-10H2,1-5H3

InChIKey

ZLXFAZWQPGECHI-UHFFFAOYSA-N

Compound name

4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 222.19836 Da
Monoisotopic Mass: 4.1
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]+	223.20564	156.1
[M+Na]+	245.18758	162.1
[M-H]-	221.19108	158.1
[M+NH4]+	240.23218	178.1
[M+K]+	261.16152	159.3
[M+H-H2O]+	205.19562	152.1
[M+HCOO]-	267.19656	174.9
[M+CH3COO]-	281.21221	191.3
[M+Na-2H]-	243.17303	154.9
[M]+	222.19781	156.0
[M]-	222.19891	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe