CID 85290815

(1alpha,2alpha,4betah,6alpha,8r)-p-menthane-2,6,8,9-tetrol

Structural Information

Molecular Formula
C10H20O4
SMILES
CC1C(CC(CC1O)C(C)(CO)O)O
InChI
InChI=1S/C10H20O4/c1-6-8(12)3-7(4-9(6)13)10(2,14)5-11/h6-9,11-14H,3-5H2,1-2H3
InChIKey
NKYSPMJOKCOMFJ-UHFFFAOYSA-N
Compound name
5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohexane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.13615 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14343 145.3
[M+Na]+ 227.12537 153.0
[M+NH4]+ 222.16997 151.3
[M+K]+ 243.09931 150.6
[M-H]- 203.12887 143.5
[M+Na-2H]- 225.11082 146.2
[M]+ 204.13560 145.5
[M]- 204.13670 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.