CID 44256588

3e,13z-octadecadienal

Structural Information

Molecular Formula

C₁₈H₃₂O

SMILES

CCCC/C=C\CCCCCCCC/C=C/CC=O

InChI

InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,15-16,18H,2-4,7-14,17H2,1H3/b6-5-,16-15+

InChIKey

FQIGBMCAZZSOQM-IYUNJCAYSA-N

Compound name

(3E,13Z)-octadeca-3,13-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 264.24533 Da
Monoisotopic Mass: 6.7
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]+	265.25261	171.9
[M+Na]+	287.23455	175.2
[M-H]-	263.23805	170.1
[M+NH4]+	282.27915	188.8
[M+K]+	303.20849	170.5
[M+H-H2O]+	247.24259	165.5
[M+HCOO]-	309.24353	192.6
[M+CH3COO]-	323.25918	201.6
[M+Na-2H]-	285.22000	172.7
[M]+	264.24478	177.0
[M]-	264.24588	177.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe