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
(1R,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

143.09464 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 128.7
[M+Na]+ 166.08386 133.7
[M-H]- 142.08736 127.3
[M+NH4]+ 161.12846 147.6
[M+K]+ 182.05780 132.6
[M+H-H2O]+ 126.09190 123.2
[M+HCOO]- 188.09284 141.5
[M+CH3COO]- 202.10849 139.9
[M+Na-2H]- 164.06931 136.4
[M]+ 143.09409 122.2
[M]- 143.09519 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

No patent data available for this compound.