CID 130547549

2-(3-methoxyazetidin-1-yl)pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C10H12N2O2
SMILES
COC1CN(C1)C2=C(C=CC=N2)C=O
InChI
InChI=1S/C10H12N2O2/c1-14-9-5-12(6-9)10-8(7-13)3-2-4-11-10/h2-4,7,9H,5-6H2,1H3
InChIKey
KUUOCDYYESOGHY-UHFFFAOYSA-N
Compound name
2-(3-methoxyazetidin-1-yl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 137.2
[M+Na]+ 215.07909 144.6
[M-H]- 191.08259 141.1
[M+NH4]+ 210.12369 147.8
[M+K]+ 231.05303 145.8
[M+H-H2O]+ 175.08713 124.2
[M+HCOO]- 237.08807 157.7
[M+CH3COO]- 251.10372 186.6
[M+Na-2H]- 213.06454 143.2
[M]+ 192.08932 147.1
[M]- 192.09042 147.1
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.