CID 139026541

1384289-79-5

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

COC(=O)[C@@]12CC[C@@H]([C@@H](C1)CNC2)O

InChI

InChI=1S/C10H17NO3/c1-14-9(13)10-3-2-8(12)7(4-10)5-11-6-10/h7-8,11-12H,2-6H2,1H3/t7-,8-,10-/m0/s1

InChIKey

BXIUEYCXMYYKHP-NRPADANISA-N

Compound name

methyl (1S,5S,6S)-6-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.12085 Da
Monoisotopic Mass: -0.3
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	145.5
[M+Na]+	222.110068	150.1
[M-H]-	198.113574	143.3
[M+NH4]+	217.154673	165.3
[M+K]+	238.084008	148.0
[M+H-H2O]+	182.118110	140.2
[M+HCOO]-	244.119051	157.5
[M+CH3COO]-	258.134701	178.6
[M+Na-2H]-	220.095516	150.7
[M]+	199.12030142	139.8
[M]-	199.12139858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.