CID 2804545

4-chloro-n-(pyridin-3-ylmethyl)aniline

Structural Information

Molecular Formula
C12H11ClN2
SMILES
C1=CC(=CN=C1)CNC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChIKey
MLOJAKGCMJIRQY-UHFFFAOYSA-N
Compound name
4-chloro-N-(pyridin-3-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

218.06108 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06836 146.4
[M+Na]+ 241.05030 162.5
[M+NH4]+ 236.09490 156.3
[M+K]+ 257.02424 153.1
[M-H]- 217.05380 152.0
[M+Na-2H]- 239.03575 157.7
[M]+ 218.06053 150.7
[M]- 218.06163 150.7
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