CID 112445

70644-47-2

Structural Information

Molecular Formula
C13H14N2
SMILES
CC1=NC(=CC=C1)NCC2=CC=CC=C2
InChI
InChI=1S/C13H14N2/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,14,15)
InChIKey
FJZQUYGOKRVORO-UHFFFAOYSA-N
Compound name
N-benzyl-6-methylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

32
Patents

198.11569 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 143.2
[M+Na]+ 221.104908 150.4
[M-H]- 197.108414 148.5
[M+NH4]+ 216.149513 160.7
[M+K]+ 237.078848 146.4
[M+H-H2O]+ 181.112950 135.1
[M+HCOO]- 243.113891 167.7
[M+CH3COO]- 257.129541 187.6
[M+Na-2H]- 219.090356 151.7
[M]+ 198.11514142 142.1
[M]- 198.11623858 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

literature stripe

Patent stripe

patents stripe