CID 238339

6312-11-4

Structural Information

Molecular Formula
C13H14N2
SMILES
CC(C1=CC=CC=N1)NC2=CC=CC=C2
InChI
InChI=1S/C13H14N2/c1-11(13-9-5-6-10-14-13)15-12-7-3-2-4-8-12/h2-11,15H,1H3
InChIKey
OTQPFEBBTYKNCP-UHFFFAOYSA-N
Compound name
N-(1-pyridin-2-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

198.11569 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 143.6
[M+Na]+ 221.10491 149.5
[M-H]- 197.10841 148.5
[M+NH4]+ 216.14951 160.6
[M+K]+ 237.07885 146.0
[M+H-H2O]+ 181.11295 135.3
[M+HCOO]- 243.11389 167.0
[M+CH3COO]- 257.12954 187.4
[M+Na-2H]- 219.09036 151.6
[M]+ 198.11514 141.4
[M]- 198.11624 141.4
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