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

63
Patents

258.2559 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.26318 171.5
[M+Na]+ 281.24512 174.7
[M-H]- 257.24862 167.8
[M+NH4]+ 276.28972 187.5
[M+K]+ 297.21906 171.8
[M+H-H2O]+ 241.25316 166.9
[M+HCOO]- 303.25410 186.4
[M+CH3COO]- 317.26975 196.9
[M+Na-2H]- 279.23057 173.9
[M]+ 258.25535 174.8
[M]- 258.25645 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