CID 31291

Tetradecanal

Structural Information

Molecular Formula

C₁₄H₂₈O

SMILES

CCCCCCCCCCCCCC=O

InChI

InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3

InChIKey

UHUFTBALEZWWIH-UHFFFAOYSA-N

Compound name

tetradecanal

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 355
References: 37344
Patents: 212.21402 Da
Monoisotopic Mass: 6.0
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]+	213.221296	156.9
[M+Na]+	235.203238	161.1
[M-H]-	211.206744	155.7
[M+NH4]+	230.247843	175.9
[M+K]+	251.177178	158.7
[M+H-H2O]+	195.211280	151.1
[M+HCOO]-	257.212221	178.5
[M+CH3COO]-	271.227871	192.6
[M+Na-2H]-	233.188686	159.8
[M]+	212.21347142	162.0
[M]-	212.21456858	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe