CID 3052675

Tropic acid, 3-piperidino-2,2-dimethylpropyl ester, acetate, hydrochloride

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]+ 362.232576 189.7
[M+Na]+ 384.214518 190.0
[M-H]- 360.218024 192.6
[M+NH4]+ 379.259123 199.8
[M+K]+ 400.188458 188.2
[M+H-H2O]+ 344.222560 180.6
[M+HCOO]- 406.223501 202.7
[M+CH3COO]- 420.239151 214.6
[M+Na-2H]- 382.199966 188.7
[M]+ 361.22475142 189.3
[M]- 361.22584858 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.