CID 200100

2,2,11,11-tetramethyl-1,12-dodecanediol

Structural Information

Molecular Formula
C16H34O2
SMILES
CC(C)(CCCCCCCCC(C)(C)CO)CO
InChI
InChI=1S/C16H34O2/c1-15(2,13-17)11-9-7-5-6-8-10-12-16(3,4)14-18/h17-18H,5-14H2,1-4H3
InChIKey
QXDHBNHGLUNWRI-UHFFFAOYSA-N
Compound name
2,2,11,11-tetramethyldodecane-1,12-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

258.2559 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.263176 171.5
[M+Na]+ 281.245118 174.7
[M-H]- 257.248624 167.8
[M+NH4]+ 276.289723 187.5
[M+K]+ 297.219058 171.8
[M+H-H2O]+ 241.253160 166.9
[M+HCOO]- 303.254101 186.4
[M+CH3COO]- 317.269751 196.9
[M+Na-2H]- 279.230566 173.9
[M]+ 258.25535142 174.8
[M]- 258.25644858 174.8
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