CID 71651114

Methyl 7-aza-2-oxindole-6-carboxylate

Structural Information

Molecular Formula
C9H8N2O3
SMILES
COC(=O)C1=NC2=C(CC(=O)N2)C=C1
InChI
InChI=1S/C9H8N2O3/c1-14-9(13)6-3-2-5-4-7(12)11-8(5)10-6/h2-3H,4H2,1H3,(H,10,11,12)
InChIKey
JJASDLYRCPMUAM-UHFFFAOYSA-N
Compound name
methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

192.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 138.4
[M+Na]+ 215.04272 147.7
[M-H]- 191.04622 139.4
[M+NH4]+ 210.08732 157.5
[M+K]+ 231.01666 145.2
[M+H-H2O]+ 175.05076 131.9
[M+HCOO]- 237.05170 158.1
[M+CH3COO]- 251.06735 178.8
[M+Na-2H]- 213.02817 143.2
[M]+ 192.05295 138.6
[M]- 192.05405 138.6
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