CID 487207

(2-oxoethylamino) pyridine-3-carboxylate

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1=CC(=CN=C1)C(=O)ONCC=O
InChI
InChI=1S/C8H8N2O3/c11-5-4-10-13-8(12)7-2-1-3-9-6-7/h1-3,5-6,10H,4H2
InChIKey
OBMMUZACKMUNSI-UHFFFAOYSA-N
Compound name
(2-oxoethylamino) pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0535 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 134.8
[M+Na]+ 203.04272 142.0
[M-H]- 179.04622 137.1
[M+NH4]+ 198.08732 152.9
[M+K]+ 219.01666 141.0
[M+H-H2O]+ 163.05076 127.6
[M+HCOO]- 225.05170 159.6
[M+CH3COO]- 239.06735 180.3
[M+Na-2H]- 201.02817 142.8
[M]+ 180.05295 136.3
[M]- 180.05405 136.3
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.