CID 84668953

Methyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-7-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H17NO3
SMILES
COC(=O)C1CC2CNCC(C1)C2O
InChI
InChI=1S/C10H17NO3/c1-14-10(13)6-2-7-4-11-5-8(3-6)9(7)12/h6-9,11-12H,2-5H2,1H3
InChIKey
GRJZGTJDDXUTMV-UHFFFAOYSA-N
Compound name
methyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 144.6
[M+Na]+ 222.11007 149.1
[M-H]- 198.11357 142.4
[M+NH4]+ 217.15467 162.6
[M+K]+ 238.08401 146.8
[M+H-H2O]+ 182.11811 139.0
[M+HCOO]- 244.11905 156.6
[M+CH3COO]- 258.13470 180.3
[M+Na-2H]- 220.09552 148.0
[M]+ 199.12030 138.9
[M]- 199.12140 138.9
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.