CID 137952340

Methyl 2-amino-6-(2,5-dihydroxy-1h-pyrrol-1-yl)pyridine-3-carboxylate

Structural Information

Molecular Formula
C11H11N3O4
SMILES
COC(=O)C1=C(N=C(C=C1)N2C(=CC=C2O)O)N
InChI
InChI=1S/C11H11N3O4/c1-18-11(17)6-2-3-7(13-10(6)12)14-8(15)4-5-9(14)16/h2-5,15-16H,1H3,(H2,12,13)
InChIKey
BWLOOANJJIRJOF-UHFFFAOYSA-N
Compound name
methyl 2-amino-6-(2,5-dihydroxypyrrol-1-yl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07495 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.082226 152.7
[M+Na]+ 272.064168 162.0
[M-H]- 248.067674 155.3
[M+NH4]+ 267.108773 167.5
[M+K]+ 288.038108 158.9
[M+H-H2O]+ 232.072210 145.2
[M+HCOO]- 294.073151 173.7
[M+CH3COO]- 308.088801 190.5
[M+Na-2H]- 270.049616 154.5
[M]+ 249.07440142 153.0
[M]- 249.07549858 153.0
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.