CID 21149915

102280-71-7

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCC(=O)OC1(CCN(C1C)CC=C)C2=CC=CC=C2
InChI
InChI=1S/C17H23NO2/c1-4-12-18-13-11-17(14(18)3,20-16(19)5-2)15-9-7-6-8-10-15/h4,6-10,14H,1,5,11-13H2,2-3H3
InChIKey
NRNQVJYBJWYAOG-UHFFFAOYSA-N
Compound name
(2-methyl-3-phenyl-1-prop-2-enylpyrrolidin-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 165.8
[M+Na]+ 296.162098 172.1
[M-H]- 272.165604 170.7
[M+NH4]+ 291.206703 184.5
[M+K]+ 312.136038 168.6
[M+H-H2O]+ 256.170140 158.6
[M+HCOO]- 318.171081 185.7
[M+CH3COO]- 332.186731 198.6
[M+Na-2H]- 294.147546 166.4
[M]+ 273.17233142 166.3
[M]- 273.17342858 166.3
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.