CID 11672756

Methyl 1h-pyrrolo[3,2-b]pyridine-6-carboxylate

Structural Information

Molecular Formula
C9H8N2O2
SMILES
COC(=O)C1=CC2=C(C=CN2)N=C1
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)6-4-8-7(11-5-6)2-3-10-8/h2-5,10H,1H3
InChIKey
JZFTWMGTLMPFEL-UHFFFAOYSA-N
Compound name
methyl 1H-pyrrolo[3,2-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

176.05858 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 134.0
[M+Na]+ 199.04780 144.4
[M-H]- 175.05130 135.4
[M+NH4]+ 194.09240 153.9
[M+K]+ 215.02174 141.5
[M+H-H2O]+ 159.05584 127.3
[M+HCOO]- 221.05678 156.3
[M+CH3COO]- 235.07243 175.7
[M+Na-2H]- 197.03325 141.5
[M]+ 176.05803 136.0
[M]- 176.05913 136.0
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