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

57
Patents

244.24023 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.247506 167.0
[M+Na]+ 267.229448 170.6
[M-H]- 243.232954 163.4
[M+NH4]+ 262.274053 183.6
[M+K]+ 283.203388 168.0
[M+H-H2O]+ 227.237490 162.6
[M+HCOO]- 289.238431 182.2
[M+CH3COO]- 303.254081 193.8
[M+Na-2H]- 265.214896 169.9
[M]+ 244.23968142 169.9
[M]- 244.24077858 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