CID 162294

38228-51-2

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC(CCCC(=C)C)OC(=O)C

InChI

InChI=1S/C10H18O2/c1-8(2)6-5-7-9(3)12-10(4)11/h9H,1,5-7H2,2-4H3

InChIKey

BJZUDLDYGABDLT-UHFFFAOYSA-N

Compound name

6-methylhept-6-en-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 170.13068 Da
Monoisotopic Mass: 3.0
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]+	171.137956	140.9
[M+Na]+	193.119898	146.5
[M-H]-	169.123404	140.9
[M+NH4]+	188.164503	161.4
[M+K]+	209.093838	146.4
[M+H-H2O]+	153.127940	136.1
[M+HCOO]-	215.128881	161.4
[M+CH3COO]-	229.144531	183.3
[M+Na-2H]-	191.105346	142.2
[M]+	170.13013142	143.2
[M]-	170.13122858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.