CID 25311

Tridecanal

Structural Information

Molecular Formula

C₁₃H₂₆O

SMILES

CCCCCCCCCCCCC=O

InChI

InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3

InChIKey

BGEHHAVMRVXCGR-UHFFFAOYSA-N

Compound name

tridecanal

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 10860
Patents: 198.19836 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]+	199.20564	151.3
[M+Na]+	221.18758	161.1
[M+NH4]+	216.23218	158.7
[M+K]+	237.16152	152.9
[M-H]-	197.19108	151.0
[M+Na-2H]-	219.17303	154.1
[M]+	198.19781	152.4
[M]-	198.19891	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe