CID 3069674

2,2,8,8-tetramethyl-1,9-nonanediol

Structural Information

Molecular Formula
C13H28O2
SMILES
CC(C)(CCCCCC(C)(C)CO)CO
InChI
InChI=1S/C13H28O2/c1-12(2,10-14)8-6-5-7-9-13(3,4)11-15/h14-15H,5-11H2,1-4H3
InChIKey
GMBAVFXBHYYKLG-UHFFFAOYSA-N
Compound name
2,2,8,8-tetramethylnonane-1,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

216.20892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.21620 157.9
[M+Na]+ 239.19814 162.3
[M-H]- 215.20164 154.7
[M+NH4]+ 234.24274 175.6
[M+K]+ 255.17208 160.2
[M+H-H2O]+ 199.20618 153.9
[M+HCOO]- 261.20712 173.8
[M+CH3COO]- 275.22277 187.8
[M+Na-2H]- 237.18359 161.8
[M]+ 216.20837 160.0
[M]- 216.20947 160.0
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