CID 21149687

1,2-dimethyl-3-phenyl-3-pyrrolidinol acetate

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1C(CCN1C)(C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C14H19NO2/c1-11-14(17-12(2)16,9-10-15(11)3)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3
InChIKey
XVQUTLVHJSIFEN-UHFFFAOYSA-N
Compound name
(1,2-dimethyl-3-phenylpyrrolidin-3-yl) acetate
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 153.3
[M+Na]+ 256.13081 160.7
[M-H]- 232.13431 158.8
[M+NH4]+ 251.17541 173.8
[M+K]+ 272.10475 158.5
[M+H-H2O]+ 216.13885 146.7
[M+HCOO]- 278.13979 174.1
[M+CH3COO]- 292.15544 190.4
[M+Na-2H]- 254.11626 155.5
[M]+ 233.14104 153.4
[M]- 233.14214 153.4
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

No patent data available for this compound.