CID 75525875

Ethyl 2-benzylpyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCOC(=O)C1(CCCN1)CC2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-2-17-13(16)14(9-6-10-15-14)11-12-7-4-3-5-8-12/h3-5,7-8,15H,2,6,9-11H2,1H3
InChIKey
RZZQCXQPOYGTSJ-UHFFFAOYSA-N
Compound name
ethyl 2-benzylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 155.8
[M+Na]+ 256.13081 160.8
[M-H]- 232.13431 159.1
[M+NH4]+ 251.17541 174.8
[M+K]+ 272.10475 157.7
[M+H-H2O]+ 216.13885 148.7
[M+HCOO]- 278.13979 175.0
[M+CH3COO]- 292.15544 185.6
[M+Na-2H]- 254.11626 158.7
[M]+ 233.14104 153.2
[M]- 233.14214 153.2
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.