CID 66995010

Ethyl 4-chloro-5h-pyrrolo[3,4-b]pyridine-6(7h)-carboxylate

Structural Information

Molecular Formula
C10H11ClN2O2
SMILES
CCOC(=O)N1CC2=C(C=CN=C2C1)Cl
InChI
InChI=1S/C10H11ClN2O2/c1-2-15-10(14)13-5-7-8(11)3-4-12-9(7)6-13/h3-4H,2,5-6H2,1H3
InChIKey
PKQNBUQDQPMAKZ-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

226.0509 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05818 146.1
[M+Na]+ 249.04012 158.8
[M+NH4]+ 244.08472 154.2
[M+K]+ 265.01406 154.2
[M-H]- 225.04362 146.5
[M+Na-2H]- 247.02557 150.7
[M]+ 226.05035 148.1
[M]- 226.05145 148.1
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