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

57
Patents

272.27155 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.27883 173.4
[M+Na]+ 295.26077 180.1
[M+NH4]+ 290.30537 178.7
[M+K]+ 311.23471 174.8
[M-H]- 271.26427 170.3
[M+Na-2H]- 293.24622 173.5
[M]+ 272.27100 173.3
[M]- 272.27210 173.3
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