CID 584616

90165-06-3

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CC1=C(C1C(=C)C)C(C)(C)CCCC(C)O

InChI

InChI=1S/C15H26O/c1-10(2)13-12(4)14(13)15(5,6)9-7-8-11(3)16/h11,13,16H,1,7-9H2,2-6H3

InChIKey

PLJBZLUOXDRADJ-UHFFFAOYSA-N

Compound name

6-methyl-6-(2-methyl-3-prop-1-en-2-ylcyclopropen-1-yl)heptan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.19836 Da
Monoisotopic Mass: 3.9
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]+	223.205636	150.8
[M+Na]+	245.187578	158.9
[M-H]-	221.191084	154.2
[M+NH4]+	240.232183	164.7
[M+K]+	261.161518	155.2
[M+H-H2O]+	205.195620	145.7
[M+HCOO]-	267.196561	169.2
[M+CH3COO]-	281.212211	197.8
[M+Na-2H]-	243.173026	151.9
[M]+	222.19781142	156.1
[M]-	222.19890858	156.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.