CID 5368910

(4e)-2,3-dimethylhexa-1,4-diene

Structural Information

Molecular Formula

C₈H₁₄

SMILES

C/C=C/C(C)C(=C)C

InChI

InChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-6,8H,2H2,1,3-4H3/b6-5+

InChIKey

QGDVKFLWAVKNAA-AATRIKPKSA-N

Compound name

(4E)-2,3-dimethylhexa-1,4-diene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 33
Patents: 110.10955 Da
Monoisotopic Mass: 3.3
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]+	111.11683	126.4
[M+Na]+	133.09877	137.0
[M+NH4]+	128.14337	134.8
[M+K]+	149.07271	131.0
[M-H]-	109.10227	126.2
[M+Na-2H]-	131.08422	130.1
[M]+	110.10900	127.7
[M]-	110.11010	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe