CID 74138

1-docosene

Structural Information

Molecular Formula

C₂₂H₄₄

SMILES

CCCCCCCCCCCCCCCCCCCCC=C

InChI

InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3

InChIKey

SPURMHFLEKVAAS-UHFFFAOYSA-N

Compound name

docos-1-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 6467
Patents: 308.3443 Da
Monoisotopic Mass: 12.2
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]+	309.35158	188.0
[M+Na]+	331.33352	196.4
[M+NH4]+	326.37812	194.5
[M+K]+	347.30746	185.5
[M-H]-	307.33702	187.8
[M+Na-2H]-	329.31897	188.9
[M]+	308.34375	189.0
[M]-	308.34485	189.0

Literature stripe

literature stripe

Patent stripe

patents stripe