CID 6558973

181114-98-7

Structural Information

Molecular Formula
C14H19NO2
SMILES
C[C@@H]1CN(C[C@H]1C(=O)OC)CC2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-11-8-15(10-13(11)14(16)17-2)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t11-,13-/m1/s1
InChIKey
KLQYKJMMAPSQCP-DGCLKSJQSA-N
Compound name
methyl (3S,4S)-1-benzyl-4-methylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

233.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.5
[M+Na]+ 256.13081 160.8
[M-H]- 232.13431 159.6
[M+NH4]+ 251.17541 172.8
[M+K]+ 272.10475 158.4
[M+H-H2O]+ 216.13885 147.1
[M+HCOO]- 278.13979 175.2
[M+CH3COO]- 292.15544 190.9
[M+Na-2H]- 254.11626 155.4
[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

No patent data available for this compound.