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]+ 195.076416 139.9
[M+Na]+ 217.058358 148.4
[M-H]- 193.061864 139.4
[M+NH4]+ 212.102963 158.2
[M+K]+ 233.032298 145.6
[M+H-H2O]+ 177.066400 133.5
[M+HCOO]- 239.067341 157.8
[M+CH3COO]- 253.082991 177.8
[M+Na-2H]- 215.043806 144.2
[M]+ 194.06859142 139.0
[M]- 194.06968858 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.