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]+ 293.18596 173.8
[M+Na]+ 315.16790 177.0
[M-H]- 291.17140 177.0
[M+NH4]+ 310.21250 182.3
[M+K]+ 331.14184 178.0
[M+H-H2O]+ 275.17594 161.4
[M+HCOO]- 337.17688 190.5
[M+CH3COO]- 351.19253 203.5
[M+Na-2H]- 313.15335 177.4
[M]+ 292.17813 182.5
[M]- 292.17923 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.