CID 11108150

Virol c

Structural Information

Molecular Formula

C₁₇H₂₆O₂

SMILES

CCCCCCC[C@@H](/C=C/C#CC#CCCCO)O

InChI

InChI=1S/C17H26O2/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18/h12,15,17-19H,2-4,8,10-11,13-14,16H2,1H3/b15-12+/t17-/m0/s1

InChIKey

XOENZUAFVYYLIG-VMEIHUARSA-N

Compound name

(E,10S)-heptadec-8-en-4,6-diyne-1,10-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 262.19327 Da
Monoisotopic Mass: 4.2
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]+	263.200546	168.0
[M+Na]+	285.182488	175.1
[M-H]-	261.185994	166.5
[M+NH4]+	280.227093	178.5
[M+K]+	301.156428	170.1
[M+H-H2O]+	245.190530	154.4
[M+HCOO]-	307.191471	174.2
[M+CH3COO]-	321.207121	215.7
[M+Na-2H]-	283.167936	166.2
[M]+	262.19272142	160.9
[M]-	262.19381858	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe