CID 445128

Bombykol

Structural Information

Molecular Formula

C₁₆H₃₀O

SMILES

CCC/C=C\C=C\CCCCCCCCCO

InChI

InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,17H,2-3,8-16H2,1H3/b5-4-,7-6+

InChIKey

CIVIWCVVOFNUST-SCFJQAPRSA-N

Compound name

(10E,12Z)-hexadeca-10,12-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 52
References: 327
Patents: 238.22966 Da
Monoisotopic Mass: 5.9
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]+	239.236936	165.3
[M+Na]+	261.218878	168.7
[M-H]-	237.222384	162.4
[M+NH4]+	256.263483	182.6
[M+K]+	277.192818	164.2
[M+H-H2O]+	221.226920	159.4
[M+HCOO]-	283.227861	184.9
[M+CH3COO]-	297.243511	193.7
[M+Na-2H]-	259.204326	166.6
[M]+	238.22911142	168.4
[M]-	238.23020858	168.4

Literature stripe

literature stripe

Patent stripe

patents stripe