CID 22665769

1-(2-acetamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC(=O)NC(C1=CC=CC=C1)C(=O)N2CCCC2C(=O)O
InChI
InChI=1S/C15H18N2O4/c1-10(18)16-13(11-6-3-2-4-7-11)14(19)17-9-5-8-12(17)15(20)21/h2-4,6-7,12-13H,5,8-9H2,1H3,(H,16,18)(H,20,21)
InChIKey
JQOBELYHNSUMDE-UHFFFAOYSA-N
Compound name
1-(2-acetamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

290.12665 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 167.3
[M+Na]+ 313.11587 174.1
[M+NH4]+ 308.16047 171.9
[M+K]+ 329.08981 173.3
[M-H]- 289.11937 167.2
[M+Na-2H]- 311.10132 169.9
[M]+ 290.12610 167.5
[M]- 290.12720 167.5
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