CID 3060687

1-isoamyl-4-piperidyl p-aminobenzoate hydrochloride

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(C)CCN1CCC(CC1)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H26N2O2/c1-13(2)7-10-19-11-8-16(9-12-19)21-17(20)14-3-5-15(18)6-4-14/h3-6,13,16H,7-12,18H2,1-2H3
InChIKey
HACNZZOXISUPOH-UHFFFAOYSA-N
Compound name
[1-(3-methylbutyl)piperidin-4-yl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 172.3
[M+Na]+ 313.188648 175.2
[M-H]- 289.192154 175.8
[M+NH4]+ 308.233253 185.5
[M+K]+ 329.162588 172.2
[M+H-H2O]+ 273.196690 163.5
[M+HCOO]- 335.197631 189.0
[M+CH3COO]- 349.213281 205.6
[M+Na-2H]- 311.174096 171.4
[M]+ 290.19888142 168.6
[M]- 290.19997858 168.6
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.