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]+ 235.190376 159.2
[M+Na]+ 257.172318 162.5
[M-H]- 233.175824 153.4
[M+NH4]+ 252.216923 174.4
[M+K]+ 273.146258 161.0
[M+H-H2O]+ 217.180360 155.5
[M+HCOO]- 279.181301 170.8
[M+CH3COO]- 293.196951 185.6
[M+Na-2H]- 255.157766 160.4
[M]+ 234.18255142 158.6
[M]- 234.18364858 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.