CID 3052675

69225-96-3

Structural Information

Molecular Formula
C21H31NO4
SMILES
CC(=O)OCC(C1=CC=CC=C1)C(=O)OCC(C)(C)CN2CCCCC2
InChI
InChI=1S/C21H31NO4/c1-17(23)25-14-19(18-10-6-4-7-11-18)20(24)26-16-21(2,3)15-22-12-8-5-9-13-22/h4,6-7,10-11,19H,5,8-9,12-16H2,1-3H3
InChIKey
OORNPGXFMVHUGE-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3-piperidin-1-ylpropyl) 3-acetyloxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2253 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.23258 189.7
[M+Na]+ 384.21452 190.0
[M-H]- 360.21802 192.6
[M+NH4]+ 379.25912 199.8
[M+K]+ 400.18846 188.2
[M+H-H2O]+ 344.22256 180.6
[M+HCOO]- 406.22350 202.7
[M+CH3COO]- 420.23915 214.6
[M+Na-2H]- 382.19997 188.7
[M]+ 361.22475 189.3
[M]- 361.22585 189.3
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.