CID 534429

2-pentadecyn-1-ol

Structural Information

Molecular Formula

C₁₅H₂₈O

SMILES

CCCCCCCCCCCCC#CCO

InChI

InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-12,15H2,1H3

InChIKey

PFHRFJSUAGQBFE-UHFFFAOYSA-N

Compound name

pentadec-2-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 68
Patents: 224.21402 Da
Monoisotopic Mass: 6.0
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]+	225.22130	153.9
[M+Na]+	247.20324	160.1
[M-H]-	223.20674	151.3
[M+NH4]+	242.24784	170.1
[M+K]+	263.17718	156.1
[M+H-H2O]+	207.21128	142.6
[M+HCOO]-	269.21222	168.7
[M+CH3COO]-	283.22787	197.9
[M+Na-2H]-	245.18869	155.9
[M]+	224.21347	152.0
[M]-	224.21457	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe