CID 8207

1-tridecanol

Structural Information

Molecular Formula

C₁₃H₂₈O

SMILES

CCCCCCCCCCCCCO

InChI

InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3

InChIKey

XFRVVPUIAFSTFO-UHFFFAOYSA-N

Compound name

tridecan-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 25
References: 57188
Patents: 200.21402 Da
Monoisotopic Mass: 5.7
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]+	201.22130	152.4
[M+Na]+	223.20324	161.6
[M+NH4]+	218.24784	159.8
[M+K]+	239.17718	153.8
[M-H]-	199.20674	151.8
[M+Na-2H]-	221.18869	154.8
[M]+	200.21347	153.3
[M]-	200.21457	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe