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 158.7
[M+Na]+ 284.08932 164.2
[M-H]- 260.09282 163.5
[M+NH4]+ 279.13392 175.2
[M+K]+ 300.06326 162.2
[M+H-H2O]+ 244.09736 150.9
[M+HCOO]- 306.09830 179.1
[M+CH3COO]- 320.11395 192.4
[M+Na-2H]- 282.07477 159.3
[M]+ 261.09955 158.8
[M]- 261.10065 158.8
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

No patent data available for this compound.