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 147.2
[M+Na]+ 227.12537 152.4
[M-H]- 203.12887 145.1
[M+NH4]+ 222.16997 164.0
[M+K]+ 243.09931 150.0
[M+H-H2O]+ 187.13341 143.3
[M+HCOO]- 249.13435 160.2
[M+CH3COO]- 263.15000 177.7
[M+Na-2H]- 225.11082 148.8
[M]+ 204.13560 142.2
[M]- 204.13670 142.2
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.