CID 6430548

Trans-tetradec-4-enal

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

CCCCCCCCC/C=C/CCC=O

InChI

InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h10-11,14H,2-9,12-13H2,1H3/b11-10+

InChIKey

MRSXTPSFUFLUIT-ZHACJKMWSA-N

Compound name

(E)-tetradec-4-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15
Patents: 210.19836 Da
Monoisotopic Mass: 5.2
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]+	211.20564	155.4
[M+Na]+	233.18758	160.0
[M-H]-	209.19108	154.3
[M+NH4]+	228.23218	174.5
[M+K]+	249.16152	157.0
[M+H-H2O]+	193.19562	149.7
[M+HCOO]-	255.19656	177.2
[M+CH3COO]-	269.21221	191.1
[M+Na-2H]-	231.17303	158.3
[M]+	210.19781	159.7
[M]-	210.19891	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe