CID 57365069

908334-28-1

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-8-12(10-17)11-4-6-13(16)7-5-11/h4-7,12H,8-10,16H2,1-3H3
InChIKey
QUBNPUPUCMVUFI-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-aminophenyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

262.16812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.6
[M+Na]+ 285.15734 169.2
[M-H]- 261.16084 168.4
[M+NH4]+ 280.20194 180.4
[M+K]+ 301.13128 166.7
[M+H-H2O]+ 245.16538 156.4
[M+HCOO]- 307.16632 182.8
[M+CH3COO]- 321.18197 197.3
[M+Na-2H]- 283.14279 164.4
[M]+ 262.16757 161.4
[M]- 262.16867 161.4
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