CID 13818518

2,4-dimethyl-2e,4e-hexadien-1-ol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C/C=C(\C)/C=C(\C)/CO

InChI

InChI=1S/C8H14O/c1-4-7(2)5-8(3)6-9/h4-5,9H,6H2,1-3H3/b7-4+,8-5+

InChIKey

YZDKYYZSTTWZDN-NSLJXJERSA-N

Compound name

(2E,4E)-2,4-dimethylhexa-2,4-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 126.10446 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]+	127.11174	129.6
[M+Na]+	149.09368	135.9
[M-H]-	125.09718	128.5
[M+NH4]+	144.13828	151.3
[M+K]+	165.06762	134.5
[M+H-H2O]+	109.10172	125.6
[M+HCOO]-	171.10266	150.0
[M+CH3COO]-	185.11831	171.0
[M+Na-2H]-	147.07913	132.7
[M]+	126.10391	128.3
[M]-	126.10501	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe