CID 16774015

926259-94-1

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC1=CC=C(C=C1)C(=O)N2CCC(CC2)N
InChI
InChI=1S/C13H18N2O/c1-10-2-4-11(5-3-10)13(16)15-8-6-12(14)7-9-15/h2-5,12H,6-9,14H2,1H3
InChIKey
PPWKONJBHSZRBF-UHFFFAOYSA-N
Compound name
(4-aminopiperidin-1-yl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

218.1419 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 151.2
[M+Na]+ 241.131118 156.3
[M-H]- 217.134624 155.5
[M+NH4]+ 236.175723 167.6
[M+K]+ 257.105058 153.1
[M+H-H2O]+ 201.139160 143.3
[M+HCOO]- 263.140101 170.1
[M+CH3COO]- 277.155751 190.6
[M+Na-2H]- 239.116566 153.5
[M]+ 218.14135142 145.3
[M]- 218.14244858 145.3
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