CID 83075478

1549097-60-0

Structural Information

Molecular Formula
C15H19NO4
SMILES
CCC1(CCCN1C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-2-15(13(17)18)9-6-10-16(15)14(19)20-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,17,18)
InChIKey
GQYZSJXTZVUDFF-UHFFFAOYSA-N
Compound name
2-ethyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 165.2
[M+Na]+ 300.12062 174.2
[M+NH4]+ 295.16522 172.4
[M+K]+ 316.09456 169.7
[M-H]- 276.12412 165.6
[M+Na-2H]- 298.10607 170.5
[M]+ 277.13085 166.3
[M]- 277.13195 166.3
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.