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

literature stripe

Patent stripe

patents stripe