CID 145867507

Rac-tert-butyl (2r,3r)-2-(aminomethyl)-3-phenylazetidine-1-carboxylate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H]1CN)C2=CC=CC=C2
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-12(13(17)9-16)11-7-5-4-6-8-11/h4-8,12-13H,9-10,16H2,1-3H3/t12-,13-/m1/s1
InChIKey
AJZPFEZSDQHYFJ-CHWSQXEVSA-N
Compound name
tert-butyl (2S,3S)-2-(aminomethyl)-3-phenylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 165.4
[M+Na]+ 285.15734 169.8
[M-H]- 261.16084 169.8
[M+NH4]+ 280.20194 174.0
[M+K]+ 301.13128 170.7
[M+H-H2O]+ 245.16538 152.3
[M+HCOO]- 307.16632 183.2
[M+CH3COO]- 321.18197 202.0
[M+Na-2H]- 283.14279 167.1
[M]+ 262.16757 173.3
[M]- 262.16867 173.3
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.