CID 50697

P-aminobenzoic acid 2-(2-piperidyl)ethyl ester hydrochloride

Structural Information

Molecular Formula
C14H20N2O2
SMILES
C1CCNC(C1)CCOC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H20N2O2/c15-12-6-4-11(5-7-12)14(17)18-10-8-13-3-1-2-9-16-13/h4-7,13,16H,1-3,8-10,15H2
InChIKey
MSQYGQSPGJZUJC-UHFFFAOYSA-N
Compound name
2-piperidin-2-ylethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.7
[M+Na]+ 271.14170 161.8
[M-H]- 247.14520 160.9
[M+NH4]+ 266.18630 172.7
[M+K]+ 287.11564 158.1
[M+H-H2O]+ 231.14974 150.4
[M+HCOO]- 293.15068 176.0
[M+CH3COO]- 307.16633 192.1
[M+Na-2H]- 269.12715 160.9
[M]+ 248.15193 152.3
[M]- 248.15303 152.3
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.