CID 145874709

2375259-29-1

Structural Information

Molecular Formula

C₁₃H₂₄N₂O₅

SMILES

CC(C)(C)OC(=O)N1CC(C1)N(C(=O)OC(C)(C)C)O

InChI

InChI=1S/C13H24N2O5/c1-12(2,3)19-10(16)14-7-9(8-14)15(18)11(17)20-13(4,5)6/h9,18H,7-8H2,1-6H3

InChIKey

LTVONVZUAFZLBW-UHFFFAOYSA-N

Compound name

tert-butyl 3-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.16852 Da
Monoisotopic Mass: 1.3
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]+	289.175796	171.0
[M+Na]+	311.157738	173.4
[M-H]-	287.161244	172.7
[M+NH4]+	306.202343	178.6
[M+K]+	327.131678	178.6
[M+H-H2O]+	271.165780	159.3
[M+HCOO]-	333.166721	185.7
[M+CH3COO]-	347.182371	205.5
[M+Na-2H]-	309.143186	171.8
[M]+	288.16797142	182.6
[M]-	288.16906858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.