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

87
Patents

210.09238 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09966 145.4
[M+Na]+ 233.08160 159.1
[M+NH4]+ 228.12620 155.2
[M+K]+ 249.05554 151.0
[M-H]- 209.08510 150.4
[M+Na-2H]- 231.06705 153.7
[M]+ 210.09183 149.1
[M]- 210.09293 149.1
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