CID 238354

6312-25-0

Structural Information

Molecular Formula
C14H16N2
SMILES
C1=CC=C(C=C1)CNCCC2=CC=CC=N2
InChI
InChI=1S/C14H16N2/c1-2-6-13(7-3-1)12-15-11-9-14-8-4-5-10-16-14/h1-8,10,15H,9,11-12H2
InChIKey
WUDUNBALAGWKQB-UHFFFAOYSA-N
Compound name
N-benzyl-2-pyridin-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

212.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 147.5
[M+Na]+ 235.120568 153.3
[M-H]- 211.124074 152.1
[M+NH4]+ 230.165173 164.0
[M+K]+ 251.094508 149.0
[M+H-H2O]+ 195.128610 138.9
[M+HCOO]- 257.129551 171.6
[M+CH3COO]- 271.145201 189.6
[M+Na-2H]- 233.106016 156.2
[M]+ 212.13080142 146.3
[M]- 212.13189858 146.3
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