CID 21149707

1,5-dimethyl-3-phenyl-3-pyrrolidinol propionate

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCC(=O)OC1(CC(N(C1)C)C)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-4-14(17)18-15(10-12(2)16(3)11-15)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKey
ZBIWFRIPOVNKHR-UHFFFAOYSA-N
Compound name
(1,5-dimethyl-3-phenylpyrrolidin-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 157.9
[M+Na]+ 270.14645 164.8
[M-H]- 246.14995 163.2
[M+NH4]+ 265.19105 177.8
[M+K]+ 286.12039 162.4
[M+H-H2O]+ 230.15449 151.1
[M+HCOO]- 292.15543 178.3
[M+CH3COO]- 306.17108 193.4
[M+Na-2H]- 268.13190 159.6
[M]+ 247.15668 158.4
[M]- 247.15778 158.4
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

patents stripe