CID 137964519

2228096-37-3

Structural Information

Molecular Formula
C9H10N2O3
SMILES
COC1=NC2=C(CC(N2)C(=O)O)C=C1
InChI
InChI=1S/C9H10N2O3/c1-14-7-3-2-5-4-6(9(12)13)10-8(5)11-7/h2-3,6H,4H2,1H3,(H,10,11)(H,12,13)
InChIKey
KSCMMBOQVUIJGV-UHFFFAOYSA-N
Compound name
6-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 139.9
[M+Na]+ 217.05836 148.4
[M-H]- 193.06186 139.4
[M+NH4]+ 212.10296 158.2
[M+K]+ 233.03230 145.6
[M+H-H2O]+ 177.06640 133.5
[M+HCOO]- 239.06734 157.8
[M+CH3COO]- 253.08299 177.8
[M+Na-2H]- 215.04381 144.2
[M]+ 194.06859 139.0
[M]- 194.06969 139.0
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

No patent data available for this compound.