CID 22556

2-dodecanone

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CCCCCCCCCCC(=O)C

InChI

InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3

InChIKey

LSKONYYRONEBKA-UHFFFAOYSA-N

Compound name

dodecan-2-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 15
References: 6329
Patents: 184.18271 Da
Monoisotopic Mass: 4.6
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	148.4
[M+Na]+	207.171928	153.2
[M-H]-	183.175434	147.7
[M+NH4]+	202.216533	168.5
[M+K]+	223.145868	151.8
[M+H-H2O]+	167.179970	143.1
[M+HCOO]-	229.180911	169.7
[M+CH3COO]-	243.196561	187.4
[M+Na-2H]-	205.157376	151.1
[M]+	184.18216142	152.1
[M]-	184.18325858	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe