CID 21149689

2-methyl-3-phenyl-3-pyrrolidinol propionate

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCC(=O)OC1(CCNC1C)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-3-13(16)17-14(9-10-15-11(14)2)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3
InChIKey
BLRDJWDKGIIOSB-UHFFFAOYSA-N
Compound name
(2-methyl-3-phenylpyrrolidin-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 155.1
[M+Na]+ 256.13081 161.0
[M-H]- 232.13431 158.7
[M+NH4]+ 251.17541 174.4
[M+K]+ 272.10475 157.9
[M+H-H2O]+ 216.13885 148.3
[M+HCOO]- 278.13979 174.3
[M+CH3COO]- 292.15544 186.7
[M+Na-2H]- 254.11626 157.4
[M]+ 233.14104 152.9
[M]- 233.14214 152.9
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