CID 57759

100311-28-2

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCCCNC1=CC=C(C=C1)C(=O)OCCCN2CCCCC2
InChI
InChI=1S/C19H30N2O2/c1-2-3-12-20-18-10-8-17(9-11-18)19(22)23-16-7-15-21-13-5-4-6-14-21/h8-11,20H,2-7,12-16H2,1H3
InChIKey
AMUOQJJITKJRNO-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 4-(butylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 180.2
[M+Na]+ 341.21996 181.4
[M-H]- 317.22346 183.3
[M+NH4]+ 336.26456 192.2
[M+K]+ 357.19390 177.8
[M+H-H2O]+ 301.22800 170.4
[M+HCOO]- 363.22894 197.9
[M+CH3COO]- 377.24459 210.1
[M+Na-2H]- 339.20541 181.2
[M]+ 318.23019 178.3
[M]- 318.23129 178.3
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.