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

16
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.