CID 16090775

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0873 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 153.3
[M+Na]+ 261.07652 159.5
[M-H]- 237.08002 157.4
[M+NH4]+ 256.12112 169.7
[M+K]+ 277.05046 154.8
[M+H-H2O]+ 221.08456 146.1
[M+HCOO]- 283.08550 167.9
[M+CH3COO]- 297.10115 191.3
[M+Na-2H]- 259.06197 155.6
[M]+ 238.08675 149.1
[M]- 238.08785 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

No literature data available for this compound.

Patent stripe

patents stripe