CID 2759257

2,4-heptadecadiyn-1-ol

Structural Information

Molecular Formula

C₁₇H₂₈O

SMILES

CCCCCCCCCCCCC#CC#CCO

InChI

InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-12,17H2,1H3

InChIKey

BCGQKHORGCDDRI-UHFFFAOYSA-N

Compound name

heptadeca-2,4-diyn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 248.21402 Da
Monoisotopic Mass: 6.4
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]+	249.22130	176.1
[M+Na]+	271.20324	183.1
[M+NH4]+	266.24784	175.8
[M+K]+	287.17718	171.7
[M-H]-	247.20674	163.7
[M+Na-2H]-	269.18869	172.5
[M]+	248.21347	172.2
[M]-	248.21457	172.2

Literature stripe

literature stripe

Patent stripe

patents stripe