CID 3053123

69552-09-6

Structural Information

Molecular Formula
C20H31NO3
SMILES
CCC(=O)OC1(CCN(C1C)CCCCOCC)C2=CC=CC=C2
InChI
InChI=1S/C20H31NO3/c1-4-19(22)24-20(18-11-7-6-8-12-18)13-15-21(17(20)3)14-9-10-16-23-5-2/h6-8,11-12,17H,4-5,9-10,13-16H2,1-3H3
InChIKey
CQTCPBBEDKELIH-UHFFFAOYSA-N
Compound name
[1-(4-ethoxybutyl)-2-methyl-3-phenylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.2304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.23768 183.6
[M+Na]+ 356.21962 188.1
[M-H]- 332.22312 187.8
[M+NH4]+ 351.26422 199.7
[M+K]+ 372.19356 185.1
[M+H-H2O]+ 316.22766 175.6
[M+HCOO]- 378.22860 202.4
[M+CH3COO]- 392.24425 210.3
[M+Na-2H]- 354.20507 182.7
[M]+ 333.22985 187.2
[M]- 333.23095 187.2
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.