CID 6438005

Hexadecadien-1-ol

Structural Information

Molecular Formula

C₁₆H₃₀O

SMILES

CC/C=C/CC/C=C/CCCCCCCCO

InChI

InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-4,7-8,17H,2,5-6,9-16H2,1H3/b4-3+,8-7+

InChIKey

MRVZPPNOMGSFAZ-DYWGDJMRSA-N

Compound name

(9E,13E)-hexadeca-9,13-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 238.22966 Da
Monoisotopic Mass: 5.4
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]+	239.23694	165.3
[M+Na]+	261.21888	168.7
[M-H]-	237.22238	162.4
[M+NH4]+	256.26348	182.6
[M+K]+	277.19282	164.2
[M+H-H2O]+	221.22692	159.4
[M+HCOO]-	283.22786	184.9
[M+CH3COO]-	297.24351	193.7
[M+Na-2H]-	259.20433	166.6
[M]+	238.22911	168.4
[M]-	238.23021	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe