CID 2760380

289476-22-8

Structural Information

Molecular Formula
C14H16N2
SMILES
CC(C1=CC=CC=C1)NCC2=CC=NC=C2
InChI
InChI=1S/C14H16N2/c1-12(14-5-3-2-4-6-14)16-11-13-7-9-15-10-8-13/h2-10,12,16H,11H2,1H3
InChIKey
RRAGLXJZCODDRE-UHFFFAOYSA-N
Compound name
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.13135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 148.2
[M+Na]+ 235.120568 153.6
[M-H]- 211.124074 152.9
[M+NH4]+ 230.165173 164.7
[M+K]+ 251.094508 149.9
[M+H-H2O]+ 195.128610 139.6
[M+HCOO]- 257.129551 171.3
[M+CH3COO]- 271.145201 190.4
[M+Na-2H]- 233.106016 155.6
[M]+ 212.13080142 146.4
[M]- 212.13189858 146.4
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.