CID 736350

3-chloro-4-(piperidin-1-yl)aniline

Structural Information

Molecular Formula
C11H15ClN2
SMILES
C1CCN(CC1)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C11H15ClN2/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKey
NIGYLYWAEONQRX-UHFFFAOYSA-N
Compound name
3-chloro-4-piperidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

85
Patents

210.09238 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.099656 146.6
[M+Na]+ 233.081598 153.2
[M-H]- 209.085104 150.7
[M+NH4]+ 228.126203 164.3
[M+K]+ 249.055538 148.2
[M+H-H2O]+ 193.089640 139.5
[M+HCOO]- 255.090581 162.1
[M+CH3COO]- 269.106231 158.2
[M+Na-2H]- 231.067046 150.6
[M]+ 210.09183142 141.9
[M]- 210.09292858 141.9
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