CID 32935

3-octene

Structural Information

Molecular Formula

C₈H₁₆

SMILES

CCCCC=CCC

InChI

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

InChIKey

YCTDZYMMFQCTEO-UHFFFAOYSA-N

Compound name

oct-3-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 16041
Patents: 112.1252 Da
Monoisotopic Mass: 3.6
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]+	113.132476	126.1
[M+Na]+	135.114418	132.9
[M-H]-	111.117924	126.2
[M+NH4]+	130.159023	149.3
[M+K]+	151.088358	131.8
[M+H-H2O]+	95.122460	121.9
[M+HCOO]-	157.123401	149.5
[M+CH3COO]-	171.139051	171.9
[M+Na-2H]-	133.099866	132.4
[M]+	112.12465142	127.4
[M]-	112.12574858	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe