CID 5283271

2,2,9,9-tetramethyl-undecan-1,10-diol

Structural Information

Molecular Formula
C14H30O2
SMILES
CC(C)(CCCCCCCC(C)(C)O)CO
InChI
InChI=1S/C14H30O2/c1-13(2,12-15)10-8-6-5-7-9-11-14(3,4)16/h15-16H,5-12H2,1-4H3
InChIKey
BEMQUKMAAXMMPR-UHFFFAOYSA-N
Compound name
2,2,10-trimethylundecane-1,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.22458 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.23186 162.5
[M+Na]+ 253.21380 166.4
[M-H]- 229.21730 159.1
[M+NH4]+ 248.25840 179.6
[M+K]+ 269.18774 164.1
[M+H-H2O]+ 213.22184 158.2
[M+HCOO]- 275.22278 178.0
[M+CH3COO]- 289.23843 190.8
[M+Na-2H]- 251.19925 165.8
[M]+ 230.22403 164.9
[M]- 230.22513 164.9
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