CID 3646019

7-ethyl-2-methylundecanol

Structural Information

Molecular Formula
C14H30O
SMILES
CCCCC(CC)CCCCC(C)CO
InChI
InChI=1S/C14H30O/c1-4-6-10-14(5-2)11-8-7-9-13(3)12-15/h13-15H,4-12H2,1-3H3
InChIKey
GWLGHNGTPVNKTG-UHFFFAOYSA-N
Compound name
7-ethyl-2-methylundecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

214.22966 Da
Monoisotopic Mass

5.8
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

No literature data available for this compound.

Patent stripe

patents stripe