CID 165686204

2228416-37-1

Structural Information

Molecular Formula

C₁₁H₂₀BrNO₂

SMILES

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

InChI

InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-7-9(8-13)5-4-6-12/h9H,4-8H2,1-3H3

InChIKey

HAHZIISZVYEPSU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.06775 Da
Monoisotopic Mass: 2.6
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]+	278.075026	152.6
[M+Na]+	300.056968	160.9
[M-H]-	276.060474	157.0
[M+NH4]+	295.101573	165.6
[M+K]+	316.030908	154.1
[M+H-H2O]+	260.065010	147.7
[M+HCOO]-	322.065951	168.0
[M+CH3COO]-	336.081601	198.6
[M+Na-2H]-	298.042416	157.1
[M]+	277.06720142	180.3
[M]-	277.06829858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.