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 147.4
[M+Na]+ 249.04012 157.3
[M-H]- 225.04362 149.3
[M+NH4]+ 244.08472 166.9
[M+K]+ 265.01406 153.7
[M+H-H2O]+ 209.04816 140.8
[M+HCOO]- 271.04910 163.1
[M+CH3COO]- 285.06475 186.2
[M+Na-2H]- 247.02557 151.4
[M]+ 226.05035 150.7
[M]- 226.05145 150.7
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