CID 16795596

5-chloro-2-(piperidine-1-carbonyl)aniline

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C12H15ClN2O/c13-9-4-5-10(11(14)8-9)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,14H2
InChIKey
ONDLGHGVJQYNAO-UHFFFAOYSA-N
Compound name
(2-amino-4-chlorophenyl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

238.0873 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 152.2
[M+Na]+ 261.07652 164.9
[M+NH4]+ 256.12112 160.8
[M+K]+ 277.05046 157.8
[M-H]- 237.08002 156.2
[M+Na-2H]- 259.06197 159.3
[M]+ 238.08675 155.3
[M]- 238.08785 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe