CID 1250441

Methyl 3-amino-4-piperidin-1-ylbenzoate

Structural Information

Molecular Formula
C13H18N2O2
SMILES
COC(=O)C1=CC(=C(C=C1)N2CCCCC2)N
InChI
InChI=1S/C13H18N2O2/c1-17-13(16)10-5-6-12(11(14)9-10)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,14H2,1H3
InChIKey
NQQHRVRQXJDWRF-UHFFFAOYSA-N
Compound name
methyl 3-amino-4-piperidin-1-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

234.13683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.4
[M+Na]+ 257.12605 165.5
[M+NH4]+ 252.17065 162.0
[M+K]+ 273.09999 159.6
[M-H]- 233.12955 157.8
[M+Na-2H]- 255.11150 160.6
[M]+ 234.13628 156.7
[M]- 234.13738 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe