CID 57363274

1260592-17-3

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 170.4
[M+Na]+ 315.16790 178.7
[M+NH4]+ 310.21250 176.3
[M+K]+ 331.14184 176.2
[M-H]- 291.17140 171.5
[M+Na-2H]- 313.15335 174.3
[M]+ 292.17813 171.5
[M]- 292.17923 171.5
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