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]+ 189.138626 142.4
[M+Na]+ 211.120568 149.0
[M-H]- 187.124074 147.1
[M+NH4]+ 206.165173 160.3
[M+K]+ 227.094508 145.4
[M+H-H2O]+ 171.128610 134.7
[M+HCOO]- 233.129551 163.8
[M+CH3COO]- 247.145201 185.7
[M+Na-2H]- 209.106016 147.6
[M]+ 188.13080142 137.6
[M]- 188.13189858 137.6
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