CID 55301547

240401-10-9

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1[C@@H]2COC[C@@H](N2)CC1O
InChI
InChI=1S/C7H13NO2/c9-7-1-5-3-10-4-6(2-7)8-5/h5-9H,1-4H2/t5-,6+,7?
InChIKey
IUHWZWAXYRQGIR-MEKDEQNOSA-N
Compound name
(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

143.09464 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 128.7
[M+Na]+ 166.083858 133.7
[M-H]- 142.087364 127.3
[M+NH4]+ 161.128463 147.6
[M+K]+ 182.057798 132.6
[M+H-H2O]+ 126.091900 123.2
[M+HCOO]- 188.092841 141.5
[M+CH3COO]- 202.108491 139.9
[M+Na-2H]- 164.069306 136.4
[M]+ 143.09409142 122.2
[M]- 143.09518858 122.2
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