CID 5001899

92733-83-0

Structural Information

Molecular Formula
C13H13ClN2
SMILES
C1=CC=NC(=C1)CCNC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H13ClN2/c14-11-4-3-6-13(10-11)16-9-7-12-5-1-2-8-15-12/h1-6,8,10,16H,7,9H2
InChIKey
MIVSCJLFCYLECS-UHFFFAOYSA-N
Compound name
3-chloro-N-(2-pyridin-2-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07672 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.083996 150.0
[M+Na]+ 255.065938 157.9
[M-H]- 231.069444 154.8
[M+NH4]+ 250.110543 166.9
[M+K]+ 271.039878 152.1
[M+H-H2O]+ 215.073980 142.2
[M+HCOO]- 277.074921 169.7
[M+CH3COO]- 291.090571 162.3
[M+Na-2H]- 253.051386 157.8
[M]+ 232.07617142 151.0
[M]- 232.07726858 151.0
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.