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]+ 277.191056 171.1
[M+Na]+ 299.172998 174.1
[M-H]- 275.176504 176.6
[M+NH4]+ 294.217603 181.8
[M+K]+ 315.146938 175.2
[M+H-H2O]+ 259.181040 159.0
[M+HCOO]- 321.181981 190.7
[M+CH3COO]- 335.197631 205.6
[M+Na-2H]- 297.158446 174.2
[M]+ 276.18323142 178.1
[M]- 276.18432858 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.