CID 3575823

1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)NC1CCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)
InChIKey
PHOIDJGLYWEUEK-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

276.18378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.9
[M+Na]+ 299.17300 172.0
[M-H]- 275.17650 172.6
[M+NH4]+ 294.21760 184.1
[M+K]+ 315.14694 169.6
[M+H-H2O]+ 259.18104 160.1
[M+HCOO]- 321.18198 187.3
[M+CH3COO]- 335.19763 199.7
[M+Na-2H]- 297.15845 169.9
[M]+ 276.18323 166.6
[M]- 276.18433 166.6
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