CID 22449911

Methyl 2-phenyl-2-(pyrrolidin-1-yl)acetate

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC(=O)C(C1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C13H17NO2/c1-16-13(15)12(14-9-5-6-10-14)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKey
NVTLFQBLMSATNO-UHFFFAOYSA-N
Compound name
methyl 2-phenyl-2-pyrrolidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

219.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.1
[M+Na]+ 242.11515 155.7
[M-H]- 218.11865 155.6
[M+NH4]+ 237.15975 169.2
[M+K]+ 258.08909 154.0
[M+H-H2O]+ 202.12319 143.4
[M+HCOO]- 264.12413 171.1
[M+CH3COO]- 278.13978 186.5
[M+Na-2H]- 240.10060 152.7
[M]+ 219.12538 149.0
[M]- 219.12648 149.0
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.