CID 12388

Tridecane

Structural Information

Molecular Formula

C₁₃H₂₈

SMILES

CCCCCCCCCCCCC

InChI

InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3

InChIKey

IIYFAKIEWZDVMP-UHFFFAOYSA-N

Compound name

tridecane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 133
References: 129953
Patents: 184.2191 Da
Monoisotopic Mass: 6.6
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]+	185.22638	150.7
[M+Na]+	207.20832	155.0
[M-H]-	183.21182	149.8
[M+NH4]+	202.25292	171.0
[M+K]+	223.18226	153.2
[M+H-H2O]+	167.21636	145.3
[M+HCOO]-	229.21730	172.2
[M+CH3COO]-	243.23295	188.7
[M+Na-2H]-	205.19377	154.1
[M]+	184.21855	154.7
[M]-	184.21965	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe