CID 54593463

Methyl 3-[(piperidin-4-yl)amino]benzoate hydrochloride

Structural Information

Molecular Formula
C13H18N2O2
SMILES
COC(=O)C1=CC(=CC=C1)NC2CCNCC2
InChI
InChI=1S/C13H18N2O2/c1-17-13(16)10-3-2-4-12(9-10)15-11-5-7-14-8-6-11/h2-4,9,11,14-15H,5-8H2,1H3
InChIKey
HBWLHCVQNMENEP-UHFFFAOYSA-N
Compound name
methyl 3-(piperidin-4-ylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 153.8
[M+Na]+ 257.12605 157.3
[M-H]- 233.12955 156.7
[M+NH4]+ 252.17065 168.6
[M+K]+ 273.09999 154.2
[M+H-H2O]+ 217.13409 145.6
[M+HCOO]- 279.13503 172.0
[M+CH3COO]- 293.15068 189.6
[M+Na-2H]- 255.11150 157.5
[M]+ 234.13628 148.0
[M]- 234.13738 148.0
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

No patent data available for this compound.