CID 3046373

62033-48-1

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(=O)OC1=C(C=C(C=C1)C2CCCN(C2)C)OC(=O)C
InChI
InChI=1S/C16H21NO4/c1-11(18)20-15-7-6-13(9-16(15)21-12(2)19)14-5-4-8-17(3)10-14/h6-7,9,14H,4-5,8,10H2,1-3H3
InChIKey
NPKFLQZJOHYJPH-UHFFFAOYSA-N
Compound name
[2-acetyloxy-4-(1-methylpiperidin-3-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

291.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 167.1
[M+Na]+ 314.13628 172.4
[M-H]- 290.13978 171.9
[M+NH4]+ 309.18088 181.1
[M+K]+ 330.11022 170.8
[M+H-H2O]+ 274.14432 158.8
[M+HCOO]- 336.14526 184.4
[M+CH3COO]- 350.16091 202.3
[M+Na-2H]- 312.12173 166.9
[M]+ 291.14651 167.3
[M]- 291.14761 167.3
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

patents stripe