CID 71927

Amezinium

Structural Information

Molecular Formula
C11H12N3O
SMILES
COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3O/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10/h2-8,12H,1H3/p+1
InChIKey
VXROHTDSRBRJLN-UHFFFAOYSA-O
Compound name
6-methoxy-1-phenylpyridazin-1-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

68
References

2390
Patents

202.09804 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10532 144.3
[M+Na]+ 225.08726 153.0
[M-H]- 201.09076 148.7
[M+NH4]+ 220.13186 160.0
[M+K]+ 241.06120 144.0
[M+H-H2O]+ 185.09530 138.3
[M+HCOO]- 247.09624 167.3
[M+CH3COO]- 261.11189 180.1
[M+Na-2H]- 223.07271 154.4
[M]+ 202.09749 142.6
[M]- 202.09859 142.6
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