CID 3069682

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

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

60
Patents

272.27155 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.27883 176.0
[M+Na]+ 295.26077 178.7
[M-H]- 271.26427 172.1
[M+NH4]+ 290.30537 191.5
[M+K]+ 311.23471 175.7
[M+H-H2O]+ 255.26881 171.2
[M+HCOO]- 317.26975 190.6
[M+CH3COO]- 331.28540 199.9
[M+Na-2H]- 293.24622 177.9
[M]+ 272.27100 179.6
[M]- 272.27210 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