CID 101411237

8-azabicyclo[3.2.1]octane-1,2,4,7-tetrol

Structural Information

Molecular Formula
C7H13NO4
SMILES
C1C2C(CC(C(C1O)(N2)O)O)O
InChI
InChI=1S/C7H13NO4/c9-4-2-6(11)7(12)5(10)1-3(4)8-7/h3-6,8-12H,1-2H2
InChIKey
DJTRTWALNSXKOG-UHFFFAOYSA-N
Compound name
8-azabicyclo[3.2.1]octane-1,2,4,7-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.08446 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 137.1
[M+Na]+ 198.07368 144.4
[M-H]- 174.07718 132.3
[M+NH4]+ 193.11828 158.3
[M+K]+ 214.04762 140.8
[M+H-H2O]+ 158.08172 134.1
[M+HCOO]- 220.08266 148.7
[M+CH3COO]- 234.09831 167.4
[M+Na-2H]- 196.05913 141.2
[M]+ 175.08391 130.9
[M]- 175.08501 130.9
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.