CID 53256168

Methyl 4-(4-aminopiperidine-1-carbonyl)benzoate hydrochloride

Structural Information

Molecular Formula
C14H18N2O3
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)N
InChI
InChI=1S/C14H18N2O3/c1-19-14(18)11-4-2-10(3-5-11)13(17)16-8-6-12(15)7-9-16/h2-5,12H,6-9,15H2,1H3
InChIKey
HZFPVOKMKXDCGU-UHFFFAOYSA-N
Compound name
methyl 4-(4-aminopiperidine-1-carbonyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

262.13174 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 160.6
[M+Na]+ 285.120958 165.1
[M-H]- 261.124464 164.8
[M+NH4]+ 280.165563 174.9
[M+K]+ 301.094898 162.9
[M+H-H2O]+ 245.129000 152.3
[M+HCOO]- 307.129941 178.8
[M+CH3COO]- 321.145591 197.4
[M+Na-2H]- 283.106406 161.4
[M]+ 262.13119142 156.5
[M]- 262.13228858 156.5
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