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]+ 235.144106 154.2
[M+Na]+ 257.126048 159.1
[M-H]- 233.129554 158.4
[M+NH4]+ 252.170653 169.8
[M+K]+ 273.099988 156.6
[M+H-H2O]+ 217.134090 146.0
[M+HCOO]- 279.135031 173.3
[M+CH3COO]- 293.150681 192.7
[M+Na-2H]- 255.111496 156.6
[M]+ 234.13628142 149.7
[M]- 234.13737858 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