CID 119031326

Tert-butyl 3-[(benzylamino)methyl]-3-hydroxyazetidine-1-carboxylate

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CNCC2=CC=CC=C2)O
InChI
InChI=1S/C16H24N2O3/c1-15(2,3)21-14(19)18-11-16(20,12-18)10-17-9-13-7-5-4-6-8-13/h4-8,17,20H,9-12H2,1-3H3
InChIKey
MLSHCMOYPVSCEI-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(benzylamino)methyl]-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.185956 173.8
[M+Na]+ 315.167898 177.0
[M-H]- 291.171404 177.0
[M+NH4]+ 310.212503 182.3
[M+K]+ 331.141838 178.0
[M+H-H2O]+ 275.175940 161.4
[M+HCOO]- 337.176881 190.5
[M+CH3COO]- 351.192531 203.5
[M+Na-2H]- 313.153346 177.4
[M]+ 292.17813142 182.5
[M]- 292.17922858 182.5
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.