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

64701
Patents

200.21402 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.22130 154.6
[M+Na]+ 223.20324 158.5
[M-H]- 199.20674 152.2
[M+NH4]+ 218.24784 173.5
[M+K]+ 239.17718 156.0
[M+H-H2O]+ 183.21128 149.1
[M+HCOO]- 245.21222 174.8
[M+CH3COO]- 259.22787 187.8
[M+Na-2H]- 221.18869 157.4
[M]+ 200.21347 158.1
[M]- 200.21457 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.