CID 179459

1,3-tetradecadiene

Structural Information

Molecular Formula

C₁₄H₂₆

SMILES

CCCCCCCCCCC=CC=C

InChI

InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,5,7H,1,4,6,8-14H2,2H3

InChIKey

LRIUTQPZISVIHK-UHFFFAOYSA-N

Compound name

tetradeca-1,3-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2755
Patents: 194.20345 Da
Monoisotopic Mass: 6.8
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]+	195.210726	152.0
[M+Na]+	217.192668	156.6
[M-H]-	193.196174	151.0
[M+NH4]+	212.237273	171.8
[M+K]+	233.166608	153.3
[M+H-H2O]+	177.200710	146.6
[M+HCOO]-	239.201651	173.6
[M+CH3COO]-	253.217301	189.2
[M+Na-2H]-	215.178116	155.0
[M]+	194.20290142	155.0
[M]-	194.20399858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe