CID 458795

2-(piperidin-1-yl)aniline

Structural Information

Molecular Formula
C11H16N2
SMILES
C1CCN(CC1)C2=CC=CC=C2N
InChI
InChI=1S/C11H16N2/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9,12H2
InChIKey
OYECAJPUPWFCSL-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

466
Patents

176.13135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 139.3
[M+Na]+ 199.120568 144.3
[M-H]- 175.124074 143.4
[M+NH4]+ 194.165173 157.2
[M+K]+ 215.094508 141.1
[M+H-H2O]+ 159.128610 131.5
[M+HCOO]- 221.129551 159.5
[M+CH3COO]- 235.145201 151.1
[M+Na-2H]- 197.106016 144.7
[M]+ 176.13080142 132.2
[M]- 176.13189858 132.2
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