CID 138980

7300-03-0

Structural Information

Molecular Formula

C₈H₁₆

SMILES

CCCC=C(C)CC

InChI

InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h7H,4-6H2,1-3H3

InChIKey

AAUHUDBDDBJONC-UHFFFAOYSA-N

Compound name

3-methylhept-3-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1511
Patents: 112.1252 Da
Monoisotopic Mass: 3.7
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]+	113.13248	126.6
[M+Na]+	135.11442	137.6
[M+NH4]+	130.15902	135.4
[M+K]+	151.08836	130.8
[M-H]-	111.11792	126.9
[M+Na-2H]-	133.09987	130.9
[M]+	112.12465	128.1
[M]-	112.12575	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe