CID 519705

Tridecane, 3-methylene-

Structural Information

Molecular Formula

C₁₄H₂₈

SMILES

CCCCCCCCCCC(=C)CC

InChI

InChI=1S/C14H28/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h3-13H2,1-2H3

InChIKey

HJXYLVWUVYMJKO-UHFFFAOYSA-N

Compound name

3-methylidenetridecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 196.2191 Da
Monoisotopic Mass: 7.3
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]+	197.22638	153.1
[M+Na]+	219.20832	162.8
[M+NH4]+	214.25292	160.9
[M+K]+	235.18226	154.7
[M-H]-	195.21182	153.1
[M+Na-2H]-	217.19377	155.8
[M]+	196.21855	154.4
[M]-	196.21965	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe