CID 3046212

61832-54-0

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(=O)OC1=C(C=C(C=C1)C2CCCNC2)OC(=O)C
InChI
InChI=1S/C15H19NO4/c1-10(17)19-14-6-5-12(8-15(14)20-11(2)18)13-4-3-7-16-9-13/h5-6,8,13,16H,3-4,7,9H2,1-2H3
InChIKey
AEDYCLOZMFULLQ-UHFFFAOYSA-N
Compound name
(2-acetyloxy-4-piperidin-3-ylphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

277.1314 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 164.3
[M+Na]+ 300.12062 174.7
[M+NH4]+ 295.16522 170.3
[M+K]+ 316.09456 169.9
[M-H]- 276.12412 165.6
[M+Na-2H]- 298.10607 168.8
[M]+ 277.13085 165.8
[M]- 277.13195 165.8
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

patents stripe