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

10
Patents

262.13174 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 160.6
[M+Na]+ 285.12096 165.1
[M-H]- 261.12446 164.8
[M+NH4]+ 280.16556 174.9
[M+K]+ 301.09490 162.9
[M+H-H2O]+ 245.12900 152.3
[M+HCOO]- 307.12994 178.8
[M+CH3COO]- 321.14559 197.4
[M+Na-2H]- 283.10641 161.4
[M]+ 262.13119 156.5
[M]- 262.13229 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