CID 165460875

En300-726288

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 142.5
[M+Na]+ 227.07909 151.0
[M-H]- 203.08259 146.7
[M+NH4]+ 222.12369 162.6
[M+K]+ 243.05303 149.4
[M+H-H2O]+ 187.08713 135.8
[M+HCOO]- 249.08807 161.9
[M+CH3COO]- 263.10372 155.6
[M+Na-2H]- 225.06454 146.7
[M]+ 204.08932 143.2
[M]- 204.09042 143.2
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.