CID 12990980

143390-49-2

Structural Information

Molecular Formula

C₁₁H₁₄INO₂

SMILES

CC(C)(C)OC(=O)NC1=CC(=CC=C1)I

InChI

InChI=1S/C11H14INO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)

InChIKey

MPCQRNOVFYBCTQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-iodophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 319.00693 Da
Monoisotopic Mass: 4.2
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]+	320.01421	161.5
[M+Na]+	341.99615	161.3
[M-H]-	317.99965	158.2
[M+NH4]+	337.04075	175.3
[M+K]+	357.97009	165.7
[M+H-H2O]+	302.00419	151.9
[M+HCOO]-	364.00513	178.9
[M+CH3COO]-	378.02078	196.6
[M+Na-2H]-	339.98160	154.5
[M]+	319.00638	159.8
[M]-	319.00748	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe