CID 162190

63365-44-6

Structural Information

Molecular Formula
C10H9N3O3
SMILES
CNC1=C(C(=CC=C1)NC(=O)C(=O)O)C#N
InChI
InChI=1S/C10H9N3O3/c1-12-7-3-2-4-8(6(7)5-11)13-9(14)10(15)16/h2-4,12H,1H3,(H,13,14)(H,15,16)
InChIKey
QHHSUAVLEGXSDI-UHFFFAOYSA-N
Compound name
2-[2-cyano-3-(methylamino)anilino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

219.06439 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 152.0
[M+Na]+ 242.05361 160.2
[M-H]- 218.05711 154.1
[M+NH4]+ 237.09821 167.1
[M+K]+ 258.02755 158.2
[M+H-H2O]+ 202.06165 139.0
[M+HCOO]- 264.06259 171.8
[M+CH3COO]- 278.07824 201.7
[M+Na-2H]- 240.03906 154.8
[M]+ 219.06384 145.7
[M]- 219.06494 145.7
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