CID 3851439

71718-88-2

Structural Information

Molecular Formula
C13H12N2
SMILES
C1=CC=C(C=C1)CN=CC2=CN=CC=C2
InChI
InChI=1S/C13H12N2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h1-8,10-11H,9H2
InChIKey
DXDPRQLAIWIMDP-UHFFFAOYSA-N
Compound name
N-benzyl-1-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

196.10005 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10733 142.0
[M+Na]+ 219.08927 149.0
[M-H]- 195.09277 148.3
[M+NH4]+ 214.13387 159.9
[M+K]+ 235.06321 145.3
[M+H-H2O]+ 179.09731 133.4
[M+HCOO]- 241.09825 168.2
[M+CH3COO]- 255.11390 187.7
[M+Na-2H]- 217.07472 151.7
[M]+ 196.09950 141.6
[M]- 196.10060 141.6
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