CID 46933300

Methyl 5-amino-2-(piperidin-1-yl)benzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 154.2
[M+Na]+ 257.12605 159.1
[M-H]- 233.12955 158.4
[M+NH4]+ 252.17065 169.8
[M+K]+ 273.09999 156.6
[M+H-H2O]+ 217.13409 146.0
[M+HCOO]- 279.13503 173.3
[M+CH3COO]- 293.15068 192.7
[M+Na-2H]- 255.11150 156.6
[M]+ 234.13628 149.7
[M]- 234.13738 149.7
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