CID 22299447

2-(4-methylphenyl)-1-(pyridin-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C14H16N2
SMILES
CC1=CC=C(C=C1)CC(C2=CN=CC=C2)N
InChI
InChI=1S/C14H16N2/c1-11-4-6-12(7-5-11)9-14(15)13-3-2-8-16-10-13/h2-8,10,14H,9,15H2,1H3
InChIKey
HCRKBJLZKQRRRC-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1-pyridin-3-ylethanamine
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 148.9
[M+Na]+ 235.120568 155.4
[M-H]- 211.124074 153.6
[M+NH4]+ 230.165173 165.5
[M+K]+ 251.094508 151.2
[M+H-H2O]+ 195.128610 140.7
[M+HCOO]- 257.129551 171.4
[M+CH3COO]- 271.145201 190.8
[M+Na-2H]- 233.106016 154.5
[M]+ 212.13080142 146.5
[M]- 212.13189858 146.5
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.