CID 3057457

2-pyrrolidinecarboxylic acid, 1-hydroxy-, vinyl ester, benzoate, l-

Structural Information

Molecular Formula
C14H15NO4
SMILES
C=COC(=O)[C@@H]1CCCN1OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H15NO4/c1-2-18-14(17)12-9-6-10-15(12)19-13(16)11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9-10H2/t12-/m0/s1
InChIKey
QSFILYHOWGWPDH-LBPRGKRZSA-N
Compound name
ethenyl (2S)-1-benzoyloxypyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1001 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 159.9
[M+Na]+ 284.08932 169.6
[M+NH4]+ 279.13392 165.9
[M+K]+ 300.06326 166.5
[M-H]- 260.09282 160.6
[M+Na-2H]- 282.07477 164.3
[M]+ 261.09955 161.0
[M]- 261.10065 161.0
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.