CID 3016150

3-(2,6-dimethyl-4-pyridyl)aniline

Structural Information

Molecular Formula
C13H14N2
SMILES
CC1=CC(=CC(=N1)C)C2=CC(=CC=C2)N
InChI
InChI=1S/C13H14N2/c1-9-6-12(7-10(2)15-9)11-4-3-5-13(14)8-11/h3-8H,14H2,1-2H3
InChIKey
ADHASKYQWAONSZ-UHFFFAOYSA-N
Compound name
3-(2,6-dimethyl-4-pyridinyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

198.11569 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 144.1
[M+Na]+ 221.104908 153.3
[M-H]- 197.108414 149.8
[M+NH4]+ 216.149513 162.1
[M+K]+ 237.078848 149.0
[M+H-H2O]+ 181.112950 136.5
[M+HCOO]- 243.113891 168.0
[M+CH3COO]- 257.129541 189.2
[M+Na-2H]- 219.090356 150.0
[M]+ 198.11514142 142.9
[M]- 198.11623858 142.9
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

patents stripe