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

2
Patents

192.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 137.2
[M+Na]+ 215.079088 144.6
[M-H]- 191.082594 141.1
[M+NH4]+ 210.123693 147.8
[M+K]+ 231.053028 145.8
[M+H-H2O]+ 175.087130 124.2
[M+HCOO]- 237.088071 157.7
[M+CH3COO]- 251.103721 186.6
[M+Na-2H]- 213.064536 143.2
[M]+ 192.08932142 147.1
[M]- 192.09041858 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

patents stripe