CID 126651505

2088510-73-8

Structural Information

Molecular Formula

C₁₀H₁₄BrNO₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)(C#CBr)O

InChI

InChI=1S/C10H14BrNO3/c1-9(2,3)15-8(13)12-6-10(14,7-12)4-5-11/h14H,6-7H2,1-3H3

InChIKey

KYURFSATNRMAAI-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-bromoethynyl)-3-hydroxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 275.01572 Da
Monoisotopic Mass: 1.2
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]+	276.022996	142.7
[M+Na]+	298.004938	153.6
[M-H]-	274.008444	144.4
[M+NH4]+	293.049543	155.3
[M+K]+	313.978878	147.0
[M+H-H2O]+	258.012980	134.1
[M+HCOO]-	320.013921	155.0
[M+CH3COO]-	334.029571	199.7
[M+Na-2H]-	295.990386	148.1
[M]+	275.01517142	161.9
[M]-	275.01626858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe