CID 101482

13362-77-1

Structural Information

Molecular Formula
C12H10N4
SMILES
C1=CC(=CN=C1)C=NN=CC2=CN=CC=C2
InChI
InChI=1S/C12H10N4/c1-3-11(7-13-5-1)9-15-16-10-12-4-2-6-14-8-12/h1-10H
InChIKey
OOXNKQISMJMZRH-UHFFFAOYSA-N
Compound name
1-pyridin-3-yl-N-(pyridin-3-ylmethylideneamino)methanimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

3
Patents

210.09055 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.097826 144.5
[M+Na]+ 233.079768 151.9
[M-H]- 209.083274 150.9
[M+NH4]+ 228.124373 160.8
[M+K]+ 249.053708 148.4
[M+H-H2O]+ 193.087810 134.4
[M+HCOO]- 255.088751 172.4
[M+CH3COO]- 269.104401 193.3
[M+Na-2H]- 231.065216 155.8
[M]+ 210.09000142 144.6
[M]- 210.09109858 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