CID 65921284

1472706-57-2

Structural Information

Molecular Formula

C₁₅H₂₁NO₃

SMILES

CC1=CC=C(C=C1)C2(CN(C2)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C15H21NO3/c1-11-5-7-12(8-6-11)15(18)9-16(10-15)13(17)19-14(2,3)4/h5-8,18H,9-10H2,1-4H3

InChIKey

CDEGRNLYLWHHHN-UHFFFAOYSA-N

Compound name

tert-butyl 3-hydroxy-3-(4-methylphenyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.15213 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.159406	163.4
[M+Na]+	286.141348	169.2
[M-H]-	262.144854	167.5
[M+NH4]+	281.185953	174.0
[M+K]+	302.115288	170.3
[M+H-H2O]+	246.149390	152.4
[M+HCOO]-	308.150331	179.6
[M+CH3COO]-	322.165981	196.9
[M+Na-2H]-	284.126796	166.8
[M]+	263.15158142	173.1
[M]-	263.15267858	173.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe