CID 200293

1505-30-2

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCCC1C(CCN1C)(CCC)C2=CC(=CC=C2)OC(=O)C
InChI
InChI=1S/C19H29NO2/c1-5-8-18-19(11-6-2,12-13-20(18)4)16-9-7-10-17(14-16)22-15(3)21/h7,9-10,14,18H,5-6,8,11-13H2,1-4H3
InChIKey
OXXSADCHAAUXFH-UHFFFAOYSA-N
Compound name
[3-(1-methyl-2,3-dipropylpyrrolidin-3-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 176.3
[M+Na]+ 326.20904 187.2
[M+NH4]+ 321.25364 184.8
[M+K]+ 342.18298 179.9
[M-H]- 302.21254 178.8
[M+Na-2H]- 324.19449 182.1
[M]+ 303.21927 178.6
[M]- 303.22037 178.6
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.