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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.128126	144.6
[M+Na]+	222.110068	149.1
[M-H]-	198.113574	142.4
[M+NH4]+	217.154673	162.6
[M+K]+	238.084008	146.8
[M+H-H2O]+	182.118110	139.0
[M+HCOO]-	244.119051	156.6
[M+CH3COO]-	258.134701	180.3
[M+Na-2H]-	220.095516	148.0
[M]+	199.12030142	138.9
[M]-	199.12139858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.