CID 92039156

117968-95-3

Structural Information

Molecular Formula
C12H26O4
SMILES
CC(CCCCCCCCC(C)(O)O)(O)O
InChI
InChI=1S/C12H26O4/c1-11(13,14)9-7-5-3-4-6-8-10-12(2,15)16/h13-16H,3-10H2,1-2H3
InChIKey
BVLHKXYEECQZPF-UHFFFAOYSA-N
Compound name
dodecane-2,2,11,11-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.1831 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19038 160.2
[M+Na]+ 257.17232 163.8
[M-H]- 233.17582 154.1
[M+NH4]+ 252.21692 175.4
[M+K]+ 273.14626 161.3
[M+H-H2O]+ 217.18036 156.1
[M+HCOO]- 279.18130 173.7
[M+CH3COO]- 293.19695 183.8
[M+Na-2H]- 255.15777 163.7
[M]+ 234.18255 160.9
[M]- 234.18365 160.9
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.