CID 85771226

2-methyl-3-(pyridin-3-yl)aniline

Structural Information

Molecular Formula
C12H12N2
SMILES
CC1=C(C=CC=C1N)C2=CN=CC=C2
InChI
InChI=1S/C12H12N2/c1-9-11(5-2-6-12(9)13)10-4-3-7-14-8-10/h2-8H,13H2,1H3
InChIKey
NDBSIYKAKZTRAW-UHFFFAOYSA-N
Compound name
2-methyl-3-pyridin-3-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.107326 139.4
[M+Na]+ 207.089268 148.1
[M-H]- 183.092774 144.8
[M+NH4]+ 202.133873 157.6
[M+K]+ 223.063208 144.0
[M+H-H2O]+ 167.097310 131.8
[M+HCOO]- 229.098251 163.6
[M+CH3COO]- 243.113901 152.8
[M+Na-2H]- 205.074716 146.7
[M]+ 184.09950142 137.4
[M]- 184.10059858 137.4
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.