CID 165824328

Rac-ethyl (3r,4s)-4-(2-methylphenyl)pyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCOC(=O)[C@@H]1CNC[C@H]1C2=CC=CC=C2C
InChI
InChI=1S/C14H19NO2/c1-3-17-14(16)13-9-15-8-12(13)11-7-5-4-6-10(11)2/h4-7,12-13,15H,3,8-9H2,1-2H3/t12-,13+/m0/s1
InChIKey
GPEYFCSFEXWRCC-QWHCGFSZSA-N
Compound name
ethyl (3S,4R)-4-(2-methylphenyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 155.1
[M+Na]+ 256.13081 161.0
[M-H]- 232.13431 158.8
[M+NH4]+ 251.17541 172.7
[M+K]+ 272.10475 157.7
[M+H-H2O]+ 216.13885 147.9
[M+HCOO]- 278.13979 174.2
[M+CH3COO]- 292.15544 188.3
[M+Na-2H]- 254.11626 155.6
[M]+ 233.14104 153.0
[M]- 233.14214 153.0
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.