CID 66081

Tetramethylallene

Structural Information

Molecular Formula

C₇H₁₂

SMILES

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

InChI

InChI=1S/C7H12/c1-6(2)5-7(3)4/h1-4H3

InChIKey

DZSNJASVIURWOG-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 103
Patents: 96.0939 Da
Monoisotopic Mass: 2.5
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	122.1
[M+Na]+	119.08312	133.0
[M+NH4]+	114.12772	130.7
[M+K]+	135.05706	127.2
[M-H]-	95.086624	122.0
[M+Na-2H]-	117.06857	126.1
[M]+	96.093351	123.4
[M]-	96.094449	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe