CID 3048970

Brn 0421038

Structural Information

Molecular Formula
C15H17NO4
SMILES
C=C[C@@]1(CCCN1C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H17NO4/c1-2-15(13(17)18)9-6-10-16(15)14(19)20-11-12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2,(H,17,18)/t15-/m1/s1
InChIKey
BPQBPQRMYRYICN-OAHLLOKOSA-N
Compound name
(2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 164.6
[M+Na]+ 298.10497 173.6
[M+NH4]+ 293.14957 171.5
[M+K]+ 314.07891 168.9
[M-H]- 274.10847 164.7
[M+Na-2H]- 296.09042 169.7
[M]+ 275.11520 165.6
[M]- 275.11630 165.6
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.