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]+ 234.148866 155.8
[M+Na]+ 256.130808 160.8
[M-H]- 232.134314 159.1
[M+NH4]+ 251.175413 174.8
[M+K]+ 272.104748 157.7
[M+H-H2O]+ 216.138850 148.7
[M+HCOO]- 278.139791 175.0
[M+CH3COO]- 292.155441 185.6
[M+Na-2H]- 254.116256 158.7
[M]+ 233.14104142 153.2
[M]- 233.14213858 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.