CID 136572

2,3-dimethyl-1,4-pentadiene

Structural Information

Molecular Formula

C₇H₁₂

SMILES

CC(C=C)C(=C)C

InChI

InChI=1S/C7H12/c1-5-7(4)6(2)3/h5,7H,1-2H2,3-4H3

InChIKey

SOKHGJZTJQMHEW-UHFFFAOYSA-N

Compound name

2,3-dimethylpenta-1,4-diene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 39
Patents: 96.0939 Da
Monoisotopic Mass: 3.1
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]+	97.101176	121.8
[M+Na]+	119.08312	132.6
[M+NH4]+	114.12772	130.4
[M+K]+	135.05706	126.9
[M-H]-	95.086624	121.7
[M+Na-2H]-	117.06857	125.8
[M]+	96.093351	123.1
[M]-	96.094449	123.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe