CID 105520290

Tert-butyl n-[(1r,3r)-3-(aminomethyl)-3-phenylcyclobutyl]carbamate

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)NC1CC(C1)(CN)C2=CC=CC=C2
InChI
InChI=1S/C16H24N2O2/c1-15(2,3)20-14(19)18-13-9-16(10-13,11-17)12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,18,19)
InChIKey
BDSBSZZJGDBSTH-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(aminomethyl)-3-phenylcyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 171.1
[M+Na]+ 299.17300 174.1
[M-H]- 275.17650 176.6
[M+NH4]+ 294.21760 181.8
[M+K]+ 315.14694 175.2
[M+H-H2O]+ 259.18104 159.0
[M+HCOO]- 321.18198 190.7
[M+CH3COO]- 335.19763 205.6
[M+Na-2H]- 297.15845 174.2
[M]+ 276.18323 178.1
[M]- 276.18433 178.1
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.