CID 8194

Dodecanal

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CCCCCCCCCCCC=O

InChI

InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3

InChIKey

HFJRKMMYBMWEAD-UHFFFAOYSA-N

Compound name

dodecanal

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1375
References: 73540
Patents: 184.18271 Da
Monoisotopic Mass: 4.9
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]+	185.189986	147.7
[M+Na]+	207.171928	152.8
[M-H]-	183.175434	147.0
[M+NH4]+	202.216533	167.9
[M+K]+	223.145868	151.0
[M+H-H2O]+	167.179970	142.3
[M+HCOO]-	229.180911	170.0
[M+CH3COO]-	243.196561	186.6
[M+Na-2H]-	205.157376	151.7
[M]+	184.18216142	152.1
[M]-	184.18325858	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe