CID 3072546

143232-60-4

Structural Information

Molecular Formula
C10H9N3O2
SMILES
CC1=CC2=C(C=C1)C(=C(N=N2)C(=O)O)N
InChI
InChI=1S/C10H9N3O2/c1-5-2-3-6-7(4-5)12-13-9(8(6)11)10(14)15/h2-4H,1H3,(H2,11,12)(H,14,15)
InChIKey
AWEVCTWWLDHGDG-UHFFFAOYSA-N
Compound name
4-amino-7-methylcinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06947 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 142.6
[M+Na]+ 226.05869 152.5
[M-H]- 202.06219 143.6
[M+NH4]+ 221.10329 159.3
[M+K]+ 242.03263 148.9
[M+H-H2O]+ 186.06673 135.4
[M+HCOO]- 248.06767 162.6
[M+CH3COO]- 262.08332 186.6
[M+Na-2H]- 224.04414 149.2
[M]+ 203.06892 141.9
[M]- 203.07002 141.9
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

No patent data available for this compound.