CID 2063754

6389-59-9

Structural Information

Molecular Formula
C14H16N2
SMILES
C1=CC=C(C=C1)CCNCC2=CC=CC=N2
InChI
InChI=1S/C14H16N2/c1-2-6-13(7-3-1)9-11-15-12-14-8-4-5-10-16-14/h1-8,10,15H,9,11-12H2
InChIKey
BPCVSTFLDMPNBX-UHFFFAOYSA-N
Compound name
2-phenyl-N-(pyridin-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

212.13135 Da
Monoisotopic Mass

2.2
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

No patent data available for this compound.