CID 65920035

1481418-97-6

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C2=CC(=CC=C2)OC)O
InChI
InChI=1S/C15H21NO4/c1-14(2,3)20-13(17)16-9-15(18,10-16)11-6-5-7-12(8-11)19-4/h5-8,18H,9-10H2,1-4H3
InChIKey
NXEWQIGPEXJYST-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-3-(3-methoxyphenyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 165.9
[M+Na]+ 302.13628 171.4
[M-H]- 278.13978 169.9
[M+NH4]+ 297.18088 175.7
[M+K]+ 318.11022 173.2
[M+H-H2O]+ 262.14432 154.7
[M+HCOO]- 324.14526 182.3
[M+CH3COO]- 338.16091 198.9
[M+Na-2H]- 300.12173 169.4
[M]+ 279.14651 177.0
[M]- 279.14761 177.0
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.