CID 395917

4-aminocinnoline-3-carbonitrile

Structural Information

Molecular Formula
C9H6N4
SMILES
C1=CC=C2C(=C1)C(=C(N=N2)C#N)N
InChI
InChI=1S/C9H6N4/c10-5-8-9(11)6-3-1-2-4-7(6)12-13-8/h1-4H,(H2,11,12)
InChIKey
KHULBBOZCOBYHE-UHFFFAOYSA-N
Compound name
4-aminocinnoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.05925 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06653 136.0
[M+Na]+ 193.04847 147.4
[M-H]- 169.05197 136.7
[M+NH4]+ 188.09307 152.2
[M+K]+ 209.02241 142.5
[M+H-H2O]+ 153.05651 121.9
[M+HCOO]- 215.05745 154.3
[M+CH3COO]- 229.07310 147.4
[M+Na-2H]- 191.03392 144.3
[M]+ 170.05870 129.4
[M]- 170.05980 129.4
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