CID 3023290

7,11-dimethyldodecan-3-ol

Structural Information

Molecular Formula
C14H30O
SMILES
CCC(CCCC(C)CCCC(C)C)O
InChI
InChI=1S/C14H30O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h12-15H,5-11H2,1-4H3
InChIKey
FRUDUNOMFKEQDI-UHFFFAOYSA-N
Compound name
7,11-dimethyldodecan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.22966 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.236936 160.7
[M+Na]+ 237.218878 163.6
[M-H]- 213.222384 158.4
[M+NH4]+ 232.263483 178.9
[M+K]+ 253.192818 162.2
[M+H-H2O]+ 197.226920 155.4
[M+HCOO]- 259.227861 177.6
[M+CH3COO]- 273.243511 193.2
[M+Na-2H]- 235.204326 159.1
[M]+ 214.22911142 162.6
[M]- 214.23020858 162.6
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.