CID 18690858

175210-67-0

Structural Information

Molecular Formula
C8H10N2O3
SMILES
COC(=O)CN1C=CC=C(C1=O)N
InChI
InChI=1S/C8H10N2O3/c1-13-7(11)5-10-4-2-3-6(9)8(10)12/h2-4H,5,9H2,1H3
InChIKey
AVTCVMQZWVXNJF-UHFFFAOYSA-N
Compound name
methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

182.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 135.3
[M+Na]+ 205.058358 144.4
[M-H]- 181.061864 137.9
[M+NH4]+ 200.102963 153.7
[M+K]+ 221.032298 143.1
[M+H-H2O]+ 165.066400 128.7
[M+HCOO]- 227.067341 159.4
[M+CH3COO]- 241.082991 182.1
[M+Na-2H]- 203.043806 140.7
[M]+ 182.06859142 136.6
[M]- 182.06968858 136.6
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

patents stripe