CID 3072545

143232-59-1

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC=C2C(=C1)C(=C(N=N2)C(=O)O)N
InChI
InChI=1S/C9H7N3O2/c10-7-5-3-1-2-4-6(5)11-12-8(7)9(13)14/h1-4H,(H2,10,11)(H,13,14)
InChIKey
HBFRLZPYEYCGTQ-UHFFFAOYSA-N
Compound name
4-aminocinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

10
Patents

189.05383 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 137.6
[M+Na]+ 212.04305 147.0
[M-H]- 188.04655 138.3
[M+NH4]+ 207.08765 154.5
[M+K]+ 228.01699 143.6
[M+H-H2O]+ 172.05109 130.3
[M+HCOO]- 234.05203 158.0
[M+CH3COO]- 248.06768 182.4
[M+Na-2H]- 210.02850 145.5
[M]+ 189.05328 136.1
[M]- 189.05438 136.1
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