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]+ 199.12297 142.6
[M+Na]+ 221.10491 151.1
[M-H]- 197.10841 148.4
[M+NH4]+ 216.14951 160.5
[M+K]+ 237.07885 146.5
[M+H-H2O]+ 181.11295 134.8
[M+HCOO]- 243.11389 167.3
[M+CH3COO]- 257.12954 188.0
[M+Na-2H]- 219.09036 150.4
[M]+ 198.11514 141.3
[M]- 198.11624 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.