CID 10633137

4,10-dimethyltridecan-7-ol

Structural Information

Molecular Formula
C15H32O
SMILES
CCCC(C)CCC(CCC(C)CCC)O
InChI
InChI=1S/C15H32O/c1-5-7-13(3)9-11-15(16)12-10-14(4)8-6-2/h13-16H,5-12H2,1-4H3
InChIKey
AJENDZPIDAIHGQ-UHFFFAOYSA-N
Compound name
4,10-dimethyltridecan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

228.24532 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.25260 165.4
[M+Na]+ 251.23454 167.8
[M-H]- 227.23804 162.8
[M+NH4]+ 246.27914 182.9
[M+K]+ 267.20848 166.2
[M+H-H2O]+ 211.24258 159.8
[M+HCOO]- 273.24352 181.9
[M+CH3COO]- 287.25917 196.2
[M+Na-2H]- 249.21999 163.2
[M]+ 228.24477 167.6
[M]- 228.24587 167.6
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