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

60
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 167.0
[M+Na]+ 267.22945 170.6
[M-H]- 243.23295 163.4
[M+NH4]+ 262.27405 183.6
[M+K]+ 283.20339 168.0
[M+H-H2O]+ 227.23749 162.6
[M+HCOO]- 289.23843 182.2
[M+CH3COO]- 303.25408 193.8
[M+Na-2H]- 265.21490 169.9
[M]+ 244.23968 169.9
[M]- 244.24078 169.9
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