CID 21738

5569-99-3

Structural Information

Molecular Formula
C11H9N3O3
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCC(=O)O
InChI
InChI=1S/C11H9N3O3/c15-10(16)6-13-11(17)9-5-12-7-3-1-2-4-8(7)14-9/h1-5H,6H2,(H,13,17)(H,15,16)
InChIKey
SYRMBQLKOGGQII-UHFFFAOYSA-N
Compound name
2-(quinoxaline-2-carbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.06439 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07167 147.8
[M+Na]+ 254.05361 155.2
[M-H]- 230.05711 148.4
[M+NH4]+ 249.09821 162.7
[M+K]+ 270.02755 152.2
[M+H-H2O]+ 214.06165 139.8
[M+HCOO]- 276.06259 167.5
[M+CH3COO]- 290.07824 189.4
[M+Na-2H]- 252.03906 155.4
[M]+ 231.06384 147.6
[M]- 231.06494 147.6
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

No patent data available for this compound.