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]+ 220.133206 151.1
[M+Na]+ 242.115148 155.7
[M-H]- 218.118654 155.6
[M+NH4]+ 237.159753 169.2
[M+K]+ 258.089088 154.0
[M+H-H2O]+ 202.123190 143.4
[M+HCOO]- 264.124131 171.1
[M+CH3COO]- 278.139781 186.5
[M+Na-2H]- 240.100596 152.7
[M]+ 219.12538142 149.0
[M]- 219.12647858 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.