CID 11034707

Tert-butyl 2-iodothiophen-3-ylcarbamate

Structural Information

Molecular Formula

C₉H₁₂INO₂S

SMILES

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

InChI

InChI=1S/C9H12INO2S/c1-9(2,3)13-8(12)11-6-4-5-14-7(6)10/h4-5H,1-3H3,(H,11,12)

InChIKey

ZBMZUJNUBUFYFB-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-iodothiophen-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 324.96335 Da
Monoisotopic Mass: 2.9
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]+	325.97063	163.3
[M+Na]+	347.95257	164.3
[M+NH4]+	342.99717	166.4
[M+K]+	363.92651	162.6
[M-H]-	323.95607	157.6
[M+Na-2H]-	345.93802	153.9
[M]+	324.96280	161.0
[M]-	324.96390	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe