CID 5370098

2,6-heptadienal, 2,4-dimethyl-, (2e)-

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CC(CC=C)/C=C(\C)/C=O

InChI

InChI=1S/C9H14O/c1-4-5-8(2)6-9(3)7-10/h4,6-8H,1,5H2,2-3H3/b9-6+

InChIKey

MIHSPYMZXYONJN-RMKNXTFCSA-N

Compound name

(2E)-2,4-dimethylhepta-2,6-dienal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 394
Patents: 138.10446 Da
Monoisotopic Mass: 2.3
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]+	139.11174	131.2
[M+Na]+	161.09368	137.8
[M-H]-	137.09718	131.4
[M+NH4]+	156.13828	153.0
[M+K]+	177.06762	136.4
[M+H-H2O]+	121.10172	126.9
[M+HCOO]-	183.10266	153.0
[M+CH3COO]-	197.11831	176.5
[M+Na-2H]-	159.07913	134.4
[M]+	138.10391	131.7
[M]-	138.10501	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe