CID 79442

2,2,6,6-tetrakis(hydroxymethyl)cyclohexanol

Structural Information

Molecular Formula
C10H20O5
SMILES
C1CC(C(C(C1)(CO)CO)O)(CO)CO
InChI
InChI=1S/C10H20O5/c11-4-9(5-12)2-1-3-10(6-13,7-14)8(9)15/h8,11-15H,1-7H2
InChIKey
ICVIFRMLTBUBGF-UHFFFAOYSA-N
Compound name
2,2,6,6-tetrakis(hydroxymethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1341
Patents

220.13107 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.138346 150.2
[M+Na]+ 243.120288 155.5
[M-H]- 219.123794 146.8
[M+NH4]+ 238.164893 169.2
[M+K]+ 259.094228 152.8
[M+H-H2O]+ 203.128330 147.5
[M+HCOO]- 265.129271 163.4
[M+CH3COO]- 279.144921 175.3
[M+Na-2H]- 241.105736 154.0
[M]+ 220.13052142 145.9
[M]- 220.13161858 145.9
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.