CID 8125

1-octene

Structural Information

Molecular Formula

C₈H₁₆

SMILES

CCCCCCC=C

InChI

InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3

InChIKey

KWKAKUADMBZCLK-UHFFFAOYSA-N

Compound name

oct-1-ene

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 220
References: 139906
Patents: 112.1252 Da
Monoisotopic Mass: 4.6
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]+	113.13248	125.9
[M+Na]+	135.11442	132.6
[M-H]-	111.11792	126.0
[M+NH4]+	130.15902	149.0
[M+K]+	151.08836	131.5
[M+H-H2O]+	95.122460	121.6
[M+HCOO]-	157.12340	149.3
[M+CH3COO]-	171.13905	172.6
[M+Na-2H]-	133.09987	132.2
[M]+	112.12465	127.3
[M]-	112.12575	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe