CID 82378780

Tert-butyl 3-(amino(phenyl)methyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C(C2=CC=CC=C2)N
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-13(11-18)14(17)12-7-5-4-6-8-12/h4-8,13-14H,9-11,17H2,1-3H3
InChIKey
YGELSMOHXSTXQW-UHFFFAOYSA-N
Compound name
tert-butyl 3-[amino(phenyl)methyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 168.2
[M+Na]+ 299.17300 172.1
[M-H]- 275.17650 172.5
[M+NH4]+ 294.21760 184.1
[M+K]+ 315.14694 169.9
[M+H-H2O]+ 259.18104 160.7
[M+HCOO]- 321.18198 186.0
[M+CH3COO]- 335.19763 200.0
[M+Na-2H]- 297.15845 168.0
[M]+ 276.18323 165.3
[M]- 276.18433 165.3
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

No patent data available for this compound.