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
8
Annotation Hits

25
References

65169
Patents

200.21402 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.221296 154.6
[M+Na]+ 223.203238 158.5
[M-H]- 199.206744 152.2
[M+NH4]+ 218.247843 173.5
[M+K]+ 239.177178 156.0
[M+H-H2O]+ 183.211280 149.1
[M+HCOO]- 245.212221 174.8
[M+CH3COO]- 259.227871 187.8
[M+Na-2H]- 221.188686 157.4
[M]+ 200.21347142 158.1
[M]- 200.21456858 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe