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 175.1
[M+Na]+ 326.20904 181.1
[M-H]- 302.21254 180.0
[M+NH4]+ 321.25364 192.9
[M+K]+ 342.18298 177.8
[M+H-H2O]+ 286.21708 167.8
[M+HCOO]- 348.21802 194.1
[M+CH3COO]- 362.23367 206.5
[M+Na-2H]- 324.19449 174.0
[M]+ 303.21927 177.3
[M]- 303.22037 177.3
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.