CID 214471

Pyridine, 1,4-dihydro-4-imino-1-(p-methylbenzyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H14N2
SMILES
CC1=CC=C(C=C1)CN2C=CC(=N)C=C2
InChI
InChI=1S/C13H14N2/c1-11-2-4-12(5-3-11)10-15-8-6-13(14)7-9-15/h2-9,14H,10H2,1H3
InChIKey
VSZUKLBJUNQMKB-UHFFFAOYSA-N
Compound name
1-[(4-methylphenyl)methyl]pyridin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11569 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 142.6
[M+Na]+ 221.104908 151.1
[M-H]- 197.108414 148.4
[M+NH4]+ 216.149513 160.5
[M+K]+ 237.078848 146.5
[M+H-H2O]+ 181.112950 134.8
[M+HCOO]- 243.113891 167.3
[M+CH3COO]- 257.129541 188.0
[M+Na-2H]- 219.090356 150.4
[M]+ 198.11514142 141.3
[M]- 198.11623858 141.3
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.