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]+ 291.133926 167.1
[M+Na]+ 313.115868 170.1
[M-H]- 289.119374 170.6
[M+NH4]+ 308.160473 181.1
[M+K]+ 329.089808 168.4
[M+H-H2O]+ 273.123910 159.4
[M+HCOO]- 335.124851 184.7
[M+CH3COO]- 349.140501 200.0
[M+Na-2H]- 311.101316 165.0
[M]+ 290.12610142 163.8
[M]- 290.12719858 163.8
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