CID 92018

2,5-dimethyl-2-vinylhex-4-enal

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

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

InChI

InChI=1S/C10H16O/c1-5-10(4,8-11)7-6-9(2)3/h5-6,8H,1,7H2,2-4H3

InChIKey

FGBSITKWTRVADL-UHFFFAOYSA-N

Compound name

2-ethenyl-2,5-dimethylhex-4-enal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 105
Patents: 152.12012 Da
Monoisotopic Mass: 2.8
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]+	153.12740	134.8
[M+Na]+	175.10934	141.7
[M-H]-	151.11284	135.1
[M+NH4]+	170.15394	156.3
[M+K]+	191.08328	140.0
[M+H-H2O]+	135.11738	130.9
[M+HCOO]-	197.11832	155.7
[M+CH3COO]-	211.13397	178.9
[M+Na-2H]-	173.09479	139.5
[M]+	152.11957	135.9
[M]-	152.12067	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe