CID 70889948

2-carbamoyl-5-(methoxymethyl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H10N2O4
SMILES
COCC1=CC(=C(N=C1)C(=O)N)C(=O)O
InChI
InChI=1S/C9H10N2O4/c1-15-4-5-2-6(9(13)14)7(8(10)12)11-3-5/h2-3H,4H2,1H3,(H2,10,12)(H,13,14)
InChIKey
HDXVRVUADFDMMG-UHFFFAOYSA-N
Compound name
2-carbamoyl-5-(methoxymethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.06406 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 143.8
[M+Na]+ 233.05328 153.6
[M+NH4]+ 228.09788 149.0
[M+K]+ 249.02722 150.7
[M-H]- 209.05678 142.9
[M+Na-2H]- 231.03873 147.4
[M]+ 210.06351 144.4
[M]- 210.06461 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe