CID 20946

3-methyl-1-heptene

Structural Information

Molecular Formula

C₈H₁₆

SMILES

CCCCC(C)C=C

InChI

InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5,8H,2,4,6-7H2,1,3H3

InChIKey

QDMFTFWKTYXBIW-UHFFFAOYSA-N

Compound name

3-methylhept-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1785
Patents: 112.1252 Da
Monoisotopic Mass: 3.8
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	126.5
[M+Na]+	135.11442	137.4
[M+NH4]+	130.15902	135.2
[M+K]+	151.08836	130.7
[M-H]-	111.11792	126.7
[M+Na-2H]-	133.09987	130.8
[M]+	112.12465	128.0
[M]-	112.12575	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe