CID 98673

4-tridecanone

Structural Information

Molecular Formula

C₁₃H₂₆O

SMILES

CCCCCCCCCC(=O)CCC

InChI

InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3-12H2,1-2H3

InChIKey

JWSRUPAFLPWLNO-UHFFFAOYSA-N

Compound name

tridecan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 71
Patents: 198.19836 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]+	199.20564	151.7
[M+Na]+	221.18758	161.1
[M+NH4]+	216.23218	159.0
[M+K]+	237.16152	153.7
[M-H]-	197.19108	151.1
[M+Na-2H]-	219.17303	154.1
[M]+	198.19781	152.7
[M]-	198.19891	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe