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]+ 304.227096 175.1
[M+Na]+ 326.209038 181.1
[M-H]- 302.212544 180.0
[M+NH4]+ 321.253643 192.9
[M+K]+ 342.182978 177.8
[M+H-H2O]+ 286.217080 167.8
[M+HCOO]- 348.218021 194.1
[M+CH3COO]- 362.233671 206.5
[M+Na-2H]- 324.194486 174.0
[M]+ 303.21927142 177.3
[M]- 303.22036858 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.