CID 215316

1,11-undecanediol, 2,2,10,10-tetramethyl-

Structural Information

Molecular Formula
C15H32O2
SMILES
CC(C)(CCCCCCCC(C)(C)CO)CO
InChI
InChI=1S/C15H32O2/c1-14(2,12-16)10-8-6-5-7-9-11-15(3,4)13-17/h16-17H,5-13H2,1-4H3
InChIKey
KGBRTXPEFAHVCL-UHFFFAOYSA-N
Compound name
2,2,10,10-tetramethylundecane-1,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

244.24023 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.24751 164.7
[M+Na]+ 267.22945 171.8
[M+NH4]+ 262.27405 170.3
[M+K]+ 283.20339 166.9
[M-H]- 243.23295 161.7
[M+Na-2H]- 265.21490 165.3
[M]+ 244.23968 164.7
[M]- 244.24078 164.7
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