CID 441437

(+)-proto-quercitol

Structural Information

Molecular Formula
C6H12O5
SMILES
C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O
InChI
InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1
InChIKey
IMPKVMRTXBRHRB-MBMOQRBOSA-N
Compound name
(1R,2S,4S,5R)-cyclohexane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

1241
Patents

164.06847 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07575 131.3
[M+Na]+ 187.05769 139.4
[M+NH4]+ 182.10229 137.1
[M+K]+ 203.03163 137.7
[M-H]- 163.06119 129.2
[M+Na-2H]- 185.04314 131.9
[M]+ 164.06792 131.3
[M]- 164.06902 131.3
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

patents stripe