CID 141979

7-tetradecyne

Structural Information

Molecular Formula

C₁₄H₂₆

SMILES

CCCCCCC#CCCCCCC

InChI

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

InChIKey

AFNWSIIBAYUTTL-UHFFFAOYSA-N

Compound name

tetradec-7-yne

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 81
Patents: 194.20345 Da
Monoisotopic Mass: 6.6
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]+	195.210726	146.0
[M+Na]+	217.192668	153.1
[M-H]-	193.196174	144.9
[M+NH4]+	212.237273	164.0
[M+K]+	233.166608	149.6
[M+H-H2O]+	177.200710	134.9
[M+HCOO]-	239.201651	162.2
[M+CH3COO]-	253.217301	196.1
[M+Na-2H]-	215.178116	149.1
[M]+	194.20290142	144.2
[M]-	194.20399858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe