CID 130045

108114-93-8

Structural Information

Molecular Formula
C12H16N2
SMILES
CN1CCC(=CC1)C2=CC=CC=C2N
InChI
InChI=1S/C12H16N2/c1-14-8-6-10(7-9-14)11-4-2-3-5-12(11)13/h2-6H,7-9,13H2,1H3
InChIKey
BRFNXNYQQYJJAQ-UHFFFAOYSA-N
Compound name
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

7
Patents

188.13135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.9
[M+Na]+ 211.12057 156.4
[M+NH4]+ 206.16517 152.3
[M+K]+ 227.09451 148.7
[M-H]- 187.12407 148.1
[M+Na-2H]- 209.10602 151.7
[M]+ 188.13080 146.3
[M]- 188.13190 146.3
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