CID 11020217

10-methyltridecan-2-one

Structural Information

Molecular Formula

C₁₄H₂₈O

SMILES

CCCC(C)CCCCCCCC(=O)C

InChI

InChI=1S/C14H28O/c1-4-10-13(2)11-8-6-5-7-9-12-14(3)15/h13H,4-12H2,1-3H3

InChIKey

NJTTWHKSGLGWQM-UHFFFAOYSA-N

Compound name

10-methyltridecan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 212.21402 Da
Monoisotopic Mass: 5.6
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]+	213.22130	158.0
[M+Na]+	235.20324	161.9
[M-H]-	211.20674	157.1
[M+NH4]+	230.24784	177.0
[M+K]+	251.17718	160.3
[M+H-H2O]+	195.21128	152.4
[M+HCOO]-	257.21222	177.7
[M+CH3COO]-	271.22787	194.2
[M+Na-2H]-	233.18869	158.3
[M]+	212.21347	161.9
[M]-	212.21457	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe