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

5
Patents

292.17868 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 170.8
[M+Na]+ 315.16790 175.2
[M-H]- 291.17140 174.5
[M+NH4]+ 310.21250 185.8
[M+K]+ 331.14184 172.7
[M+H-H2O]+ 275.17594 163.5
[M+HCOO]- 337.17688 188.9
[M+CH3COO]- 351.19253 200.6
[M+Na-2H]- 313.15335 171.9
[M]+ 292.17813 169.5
[M]- 292.17923 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