CID 3069682

1,11-undecanediol, 2,10-diethyl-2,10-dimethyl-

Structural Information

Molecular Formula
C17H36O2
SMILES
CCC(C)(CCCCCCCC(C)(CC)CO)CO
InChI
InChI=1S/C17H36O2/c1-5-16(3,14-18)12-10-8-7-9-11-13-17(4,6-2)15-19/h18-19H,5-15H2,1-4H3
InChIKey
BGVXIKLZWFTQMP-UHFFFAOYSA-N
Compound name
2,10-diethyl-2,10-dimethylundecane-1,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

272.27155 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.278826 176.0
[M+Na]+ 295.260768 178.7
[M-H]- 271.264274 172.1
[M+NH4]+ 290.305373 191.5
[M+K]+ 311.234708 175.7
[M+H-H2O]+ 255.268810 171.2
[M+HCOO]- 317.269751 190.6
[M+CH3COO]- 331.285401 199.9
[M+Na-2H]- 293.246216 177.9
[M]+ 272.27100142 179.6
[M]- 272.27209858 179.6
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

patents stripe