CID 3060612

78219-14-4

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCCCN1CCC(CC1)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H24N2O2/c1-2-3-10-18-11-8-15(9-12-18)20-16(19)13-4-6-14(17)7-5-13/h4-7,15H,2-3,8-12,17H2,1H3
InChIKey
FPXPJUPBDLBNHX-UHFFFAOYSA-N
Compound name
(1-butylpiperidin-4-yl) 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 167.7
[M+Na]+ 299.172998 171.3
[M-H]- 275.176504 171.3
[M+NH4]+ 294.217603 181.6
[M+K]+ 315.146938 168.0
[M+H-H2O]+ 259.181040 158.9
[M+HCOO]- 321.181981 185.8
[M+CH3COO]- 335.197631 201.7
[M+Na-2H]- 297.158446 168.4
[M]+ 276.18323142 164.2
[M]- 276.18432858 164.2
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.