CID 6430176

12z-hexadecenal

Structural Information

Molecular Formula

C₁₆H₃₀O

SMILES

CCC/C=C\CCCCCCCCCCC=O

InChI

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

InChIKey

RYKIGMSSILTWCJ-PLNGDYQASA-N

Compound name

(Z)-hexadec-12-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 137
Patents: 238.22966 Da
Monoisotopic Mass: 6.1
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	164.4
[M+Na]+	261.21888	168.2
[M-H]-	237.22238	163.0
[M+NH4]+	256.26348	182.4
[M+K]+	277.19282	164.7
[M+H-H2O]+	221.22692	158.3
[M+HCOO]-	283.22786	185.6
[M+CH3COO]-	297.24351	197.1
[M+Na-2H]-	259.20433	166.3
[M]+	238.22911	169.6
[M]-	238.23021	169.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe