CID 688176

N-benzyl-d-proline ethyl ester

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCOC(=O)[C@H]1CCCN1CC2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-2-17-14(16)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m1/s1
InChIKey
FLASAKCDOWUBQX-CYBMUJFWSA-N
Compound name
ethyl (2R)-1-benzylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

233.14159 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 155.0
[M+Na]+ 256.13081 160.4
[M-H]- 232.13431 159.7
[M+NH4]+ 251.17541 173.0
[M+K]+ 272.10475 158.0
[M+H-H2O]+ 216.13885 147.2
[M+HCOO]- 278.13979 175.7
[M+CH3COO]- 292.15544 189.7
[M+Na-2H]- 254.11626 156.6
[M]+ 233.14104 154.3
[M]- 233.14214 154.3
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

patents stripe