CID 462453

164733-64-6

Structural Information

Molecular Formula
C13H14N2
SMILES
CC1=CC=C(C=C1)CNC2=CC=CC=N2
InChI
InChI=1S/C13H14N2/c1-11-5-7-12(8-6-11)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)
InChIKey
OCTICYCGZSQLOX-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

198.11569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 143.2
[M+Na]+ 221.10491 150.4
[M-H]- 197.10841 148.5
[M+NH4]+ 216.14951 160.7
[M+K]+ 237.07885 146.4
[M+H-H2O]+ 181.11295 135.1
[M+HCOO]- 243.11389 167.7
[M+CH3COO]- 257.12954 187.6
[M+Na-2H]- 219.09036 151.7
[M]+ 198.11514 142.1
[M]- 198.11624 142.1
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.