CID 11000522

Tert-butyl 3-iodoazetidine-1-carboxylate

Structural Information

Molecular Formula

C₈H₁₄INO₂

SMILES

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

InChI

InChI=1S/C8H14INO2/c1-8(2,3)12-7(11)10-4-6(9)5-10/h6H,4-5H2,1-3H3

InChIKey

XPDIKRMPZNLBAC-UHFFFAOYSA-N

Compound name

tert-butyl 3-iodoazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3299
Patents: 283.00693 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]+	284.01421	147.7
[M+Na]+	305.99615	146.9
[M-H]-	281.99965	143.3
[M+NH4]+	301.04075	156.1
[M+K]+	321.97009	155.3
[M+H-H2O]+	266.00419	134.2
[M+HCOO]-	328.00513	161.1
[M+CH3COO]-	342.02078	191.7
[M+Na-2H]-	303.98160	139.9
[M]+	283.00638	154.2
[M]-	283.00748	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe