CID 10512838

4-methyltridecan-7-ol

Structural Information

Molecular Formula
C14H30O
SMILES
CCCCCCC(CCC(C)CCC)O
InChI
InChI=1S/C14H30O/c1-4-6-7-8-10-14(15)12-11-13(3)9-5-2/h13-15H,4-12H2,1-3H3
InChIKey
LUBAALNFUOCCPG-UHFFFAOYSA-N
Compound name
4-methyltridecan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

214.22966 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.236936 160.5
[M+Na]+ 237.218878 163.6
[M-H]- 213.222384 158.1
[M+NH4]+ 232.263483 178.7
[M+K]+ 253.192818 161.7
[M+H-H2O]+ 197.226920 155.0
[M+HCOO]- 259.227861 178.4
[M+CH3COO]- 273.243511 192.3
[M+Na-2H]- 235.204326 160.2
[M]+ 214.22911142 163.0
[M]- 214.23020858 163.0
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