CID 9576147

Einecs 230-145-7

Structural Information

Molecular Formula
C12H10N4
SMILES
C1=CN=CC=C1/C=N/N=C/C2=CC=NC=C2
InChI
InChI=1S/C12H10N4/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-10H/b15-9+,16-10+
InChIKey
XLLIUDMGQNPRJS-KAVGSWPWSA-N
Compound name
(E)-1-pyridin-4-yl-N-[(E)-pyridin-4-ylmethylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

210.09055 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09783 144.5
[M+Na]+ 233.07977 151.9
[M-H]- 209.08327 150.9
[M+NH4]+ 228.12437 160.8
[M+K]+ 249.05371 148.4
[M+H-H2O]+ 193.08781 134.4
[M+HCOO]- 255.08875 172.4
[M+CH3COO]- 269.10440 193.3
[M+Na-2H]- 231.06522 155.8
[M]+ 210.09000 144.6
[M]- 210.09110 144.6
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