CID 61809436

[(3-chlorophenyl)(pyridin-2-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C13H13ClN2
SMILES
CNC(C1=CC(=CC=C1)Cl)C2=CC=CC=N2
InChI
InChI=1S/C13H13ClN2/c1-15-13(12-7-2-3-8-16-12)10-5-4-6-11(14)9-10/h2-9,13,15H,1H3
InChIKey
NORGYAXAFIIMRW-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07672 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08400 150.1
[M+Na]+ 255.06594 157.8
[M-H]- 231.06944 155.2
[M+NH4]+ 250.11054 167.0
[M+K]+ 271.03988 152.4
[M+H-H2O]+ 215.07398 142.6
[M+HCOO]- 277.07492 168.9
[M+CH3COO]- 291.09057 162.4
[M+Na-2H]- 253.05139 156.8
[M]+ 232.07617 150.6
[M]- 232.07727 150.6
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.