CID 165460875

Rac-5-[(1r,4r)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyridine-2-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C1[C@H]2CN([C@@H]1CO2)C3=CN=C(C=C3)C=O

InChI

InChI=1S/C11H12N2O2/c14-6-8-1-2-9(4-12-8)13-5-11-3-10(13)7-15-11/h1-2,4,6,10-11H,3,5,7H2/t10-,11-/m0/s1

InChIKey

CBQGXXDQTGLMSO-QWRGUYRKSA-N

Compound name

5-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.08987 Da
Monoisotopic Mass: 0.7
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]+	205.097146	142.5
[M+Na]+	227.079088	151.0
[M-H]-	203.082594	146.7
[M+NH4]+	222.123693	162.6
[M+K]+	243.053028	149.4
[M+H-H2O]+	187.087130	135.8
[M+HCOO]-	249.088071	161.9
[M+CH3COO]-	263.103721	155.6
[M+Na-2H]-	225.064536	146.7
[M]+	204.08932142	143.2
[M]-	204.09041858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.