CID 57363274

Rac-tert-butyl n-[(3r,4s)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-14-10-17-9-13(14)11-5-7-12(20-4)8-6-11/h5-8,13-14,17H,9-10H2,1-4H3,(H,18,19)/t13-,14+/m0/s1
InChIKey
NTUSMEQMZHLYMM-UONOGXRCSA-N
Compound name
tert-butyl N-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

292.17868 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.185956 170.8
[M+Na]+ 315.167898 175.2
[M-H]- 291.171404 174.5
[M+NH4]+ 310.212503 185.8
[M+K]+ 331.141838 172.7
[M+H-H2O]+ 275.175940 163.5
[M+HCOO]- 337.176881 188.9
[M+CH3COO]- 351.192531 200.6
[M+Na-2H]- 313.153346 171.9
[M]+ 292.17813142 169.5
[M]- 292.17922858 169.5
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

patents stripe