CID 91996885

68444-26-8

Structural Information

Molecular Formula
C12H26O4
SMILES
CC(C)(CCC(C)(C)CC(O)O)CC(O)O
InChI
InChI=1S/C12H26O4/c1-11(2,7-9(13)14)5-6-12(3,4)8-10(15)16/h9-10,13-16H,5-8H2,1-4H3
InChIKey
LYJJDROWKXTEOM-UHFFFAOYSA-N
Compound name
3,3,6,6-tetramethyloctane-1,1,8,8-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.1831 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19038 159.2
[M+Na]+ 257.17232 162.5
[M-H]- 233.17582 153.4
[M+NH4]+ 252.21692 174.4
[M+K]+ 273.14626 161.0
[M+H-H2O]+ 217.18036 155.5
[M+HCOO]- 279.18130 170.8
[M+CH3COO]- 293.19695 185.6
[M+Na-2H]- 255.15777 160.4
[M]+ 234.18255 158.6
[M]- 234.18365 158.6
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

No patent data available for this compound.