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]+ 213.13863 148.2
[M+Na]+ 235.12057 153.6
[M-H]- 211.12407 152.9
[M+NH4]+ 230.16517 164.7
[M+K]+ 251.09451 149.9
[M+H-H2O]+ 195.12861 139.6
[M+HCOO]- 257.12955 171.3
[M+CH3COO]- 271.14520 190.4
[M+Na-2H]- 233.10602 155.6
[M]+ 212.13080 146.4
[M]- 212.13190 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.