CID 6412705

N-methylcinnolin-4-amine

Structural Information

Molecular Formula
C9H9N3
SMILES
CNC1=CN=NC2=CC=CC=C21
InChI
InChI=1S/C9H9N3/c1-10-9-6-11-12-8-5-3-2-4-7(8)9/h2-6H,1H3,(H,10,12)
InChIKey
JQWMWQFXJCCGIH-UHFFFAOYSA-N
Compound name
N-methylcinnolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

159.07965 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.086926 130.7
[M+Na]+ 182.068868 139.9
[M-H]- 158.072374 132.8
[M+NH4]+ 177.113473 149.9
[M+K]+ 198.042808 136.6
[M+H-H2O]+ 142.076910 123.1
[M+HCOO]- 204.077851 153.7
[M+CH3COO]- 218.093501 144.3
[M+Na-2H]- 180.054316 142.2
[M]+ 159.07910142 130.2
[M]- 159.08019858 130.2
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