CID 1080485

(4-methyl-benzyl)-pyridin-2-ylmethyl-amine

Structural Information

Molecular Formula
C14H16N2
SMILES
CC1=CC=C(C=C1)CNCC2=CC=CC=N2
InChI
InChI=1S/C14H16N2/c1-12-5-7-13(8-6-12)10-15-11-14-4-2-3-9-16-14/h2-9,15H,10-11H2,1H3
InChIKey
IBTJBQKFYIHFEV-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

212.13135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 147.8
[M+Na]+ 235.12057 154.6
[M-H]- 211.12407 152.9
[M+NH4]+ 230.16517 164.7
[M+K]+ 251.09451 150.3
[M+H-H2O]+ 195.12861 139.4
[M+HCOO]- 257.12955 171.9
[M+CH3COO]- 271.14520 190.6
[M+Na-2H]- 233.10602 155.8
[M]+ 212.13080 147.0
[M]- 212.13190 147.0
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