CID 57436

98694-59-8

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(=O)C1(CCN(CC1)C)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c1-12(17)15(8-10-16(2)11-9-15)19-14(18)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3
InChIKey
VWNJBSBJCNMMAS-UHFFFAOYSA-N
Compound name
(4-acetyl-1-methylpiperidin-4-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 160.4
[M+Na]+ 284.125718 165.3
[M-H]- 260.129224 165.0
[M+NH4]+ 279.170323 177.1
[M+K]+ 300.099658 163.6
[M+H-H2O]+ 244.133760 152.7
[M+HCOO]- 306.134701 177.9
[M+CH3COO]- 320.150351 194.9
[M+Na-2H]- 282.111166 163.1
[M]+ 261.13595142 158.4
[M]- 261.13704858 158.4
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.