CID 21951513

1-propionyl-4-anilinopiperidine

Structural Information

Molecular Formula
C14H20N2O
SMILES
CCC(=O)N1CCC(CC1)NC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O/c1-2-14(17)16-10-8-13(9-11-16)15-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChIKey
NRDICUQEXUBRLT-UHFFFAOYSA-N
Compound name
1-(4-anilinopiperidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 155.1
[M+Na]+ 255.146778 158.7
[M-H]- 231.150284 159.2
[M+NH4]+ 250.191383 170.8
[M+K]+ 271.120718 155.6
[M+H-H2O]+ 215.154820 146.5
[M+HCOO]- 277.155761 174.2
[M+CH3COO]- 291.171411 193.0
[M+Na-2H]- 253.132226 158.6
[M]+ 232.15701142 150.0
[M]- 232.15810858 150.0
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

No patent data available for this compound.