CID 93231

41702-60-7

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC(=C)C(=O)CCC(=C)C=C

InChI

InChI=1S/C10H14O/c1-5-9(4)6-7-10(11)8(2)3/h5H,1-2,4,6-7H2,3H3

InChIKey

YZWOKWMEQQCMRN-UHFFFAOYSA-N

Compound name

2-methyl-6-methylideneocta-1,7-dien-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 150.10446 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]+	151.111736	133.7
[M+Na]+	173.093678	139.9
[M-H]-	149.097184	133.8
[M+NH4]+	168.138283	154.8
[M+K]+	189.067618	138.1
[M+H-H2O]+	133.101720	129.3
[M+HCOO]-	195.102661	154.3
[M+CH3COO]-	209.118311	180.2
[M+Na-2H]-	171.079126	135.3
[M]+	150.10391142	133.3
[M]-	150.10500858	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe