CID 69823

1-tetradecyne

Structural Information

Molecular Formula

C₁₄H₂₆

SMILES

CCCCCCCCCCCCC#C

InChI

InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1H,4-14H2,2H3

InChIKey

DZEFNRWGWQDGTR-UHFFFAOYSA-N

Compound name

tetradec-1-yne

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2308
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	145.3
[M+Na]+	217.192668	152.3
[M-H]-	193.196174	144.1
[M+NH4]+	212.237273	163.2
[M+K]+	233.166608	148.8
[M+H-H2O]+	177.200710	134.2
[M+HCOO]-	239.201651	161.5
[M+CH3COO]-	253.217301	197.3
[M+Na-2H]-	215.178116	148.5
[M]+	194.20290142	143.7
[M]-	194.20399858	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe