CID 345773

Nsc676729

Structural Information

Molecular Formula
C13H12N2
SMILES
CC1=CC=C(C=C1)N=CC2=CC=CC=N2
InChI
InChI=1S/C13H12N2/c1-11-5-7-12(8-6-11)15-10-13-4-2-3-9-14-13/h2-10H,1H3
InChIKey
LYPDXWBRSLBCSS-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-1-pyridin-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

196.10005 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10733 142.0
[M+Na]+ 219.08927 150.1
[M-H]- 195.09277 148.8
[M+NH4]+ 214.13387 160.4
[M+K]+ 235.06321 146.4
[M+H-H2O]+ 179.09731 133.7
[M+HCOO]- 241.09825 168.3
[M+CH3COO]- 255.11390 188.7
[M+Na-2H]- 217.07472 151.0
[M]+ 196.09950 142.0
[M]- 196.10060 142.0
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