CID 53484285

1221715-93-0

Structural Information

Molecular Formula

C₁₁H₂₀BrNO₃

SMILES

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

InChI

InChI=1S/C11H20BrNO3/c1-11(2,3)16-10(14)13-7-9(8-13)15-6-4-5-12/h9H,4-8H2,1-3H3

InChIKey

XYRRZACCGWDLGZ-UHFFFAOYSA-N

Compound name

tert-butyl 3-(3-bromopropoxy)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 293.06265 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]+	294.06993	154.6
[M+Na]+	316.05187	162.6
[M-H]-	292.05537	158.8
[M+NH4]+	311.09647	166.8
[M+K]+	332.02581	156.2
[M+H-H2O]+	276.05991	149.3
[M+HCOO]-	338.06085	170.1
[M+CH3COO]-	352.07650	200.4
[M+Na-2H]-	314.03732	159.1
[M]+	293.06210	183.5
[M]-	293.06320	183.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe