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]+ 235.190376 160.2
[M+Na]+ 257.172318 163.8
[M-H]- 233.175824 154.1
[M+NH4]+ 252.216923 175.4
[M+K]+ 273.146258 161.3
[M+H-H2O]+ 217.180360 156.1
[M+HCOO]- 279.181301 173.7
[M+CH3COO]- 293.196951 183.8
[M+Na-2H]- 255.157766 163.7
[M]+ 234.18255142 160.9
[M]- 234.18364858 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.