CID 641024

Tert-butyl n-(2-iodoethyl)carbamate

Structural Information

Molecular Formula

C₇H₁₄INO₂

SMILES

CC(C)(C)OC(=O)NCCI

InChI

InChI=1S/C7H14INO2/c1-7(2,3)11-6(10)9-5-4-8/h4-5H2,1-3H3,(H,9,10)

InChIKey

AOEDOXQZANMVHL-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-iodoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 271.00693 Da
Monoisotopic Mass: 2.0
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]+	272.01421	152.2
[M+Na]+	293.99615	151.6
[M-H]-	269.99965	146.0
[M+NH4]+	289.04075	167.9
[M+K]+	309.97009	157.5
[M+H-H2O]+	254.00419	143.8
[M+HCOO]-	316.00513	169.4
[M+CH3COO]-	330.02078	188.6
[M+Na-2H]-	291.98160	145.0
[M]+	271.00638	151.3
[M]-	271.00748	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe