CID 145915508

2402789-66-4

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1[C@@H]2CNC[C@H]1[C@H]([C@H]2O)O
InChI
InChI=1S/C7H13NO2/c9-6-4-1-5(7(6)10)3-8-2-4/h4-10H,1-3H2/t4-,5+,6+,7-
InChIKey
WQFRVMAZGRUGMR-RNGGSSJXSA-N
Compound name
(1S,5R,6S,7R)-3-azabicyclo[3.2.1]octane-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

143.09464 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 130.4
[M+Na]+ 166.083858 136.8
[M-H]- 142.087364 127.7
[M+NH4]+ 161.128463 152.1
[M+K]+ 182.057798 133.8
[M+H-H2O]+ 126.091900 126.1
[M+HCOO]- 188.092841 144.8
[M+CH3COO]- 202.108491 166.7
[M+Na-2H]- 164.069306 134.6
[M]+ 143.09409142 124.0
[M]- 143.09518858 124.0
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

patents stripe