CID 96428

2095409-69-9

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CNCCC1(C(=O)N)NC2=CC=CC=C2
InChI
InChI=1S/C12H17N3O/c13-11(16)12(6-8-14-9-7-12)15-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2,(H2,13,16)
InChIKey
WAIIZELGDHTPRX-UHFFFAOYSA-N
Compound name
4-anilinopiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

219.13716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 149.7
[M+Na]+ 242.12638 153.0
[M-H]- 218.12988 152.2
[M+NH4]+ 237.17098 166.3
[M+K]+ 258.10032 149.4
[M+H-H2O]+ 202.13442 142.0
[M+HCOO]- 264.13536 168.5
[M+CH3COO]- 278.15101 188.1
[M+Na-2H]- 240.11183 155.2
[M]+ 219.13661 140.5
[M]- 219.13771 140.5
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