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

62
Patents

324.96335 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.97063 163.0
[M+Na]+ 347.95257 163.7
[M-H]- 323.95607 160.2
[M+NH4]+ 342.99717 178.9
[M+K]+ 363.92651 167.7
[M+H-H2O]+ 307.96061 154.0
[M+HCOO]- 369.96155 176.8
[M+CH3COO]- 383.97720 194.5
[M+Na-2H]- 345.93802 152.2
[M]+ 324.96280 163.5
[M]- 324.96390 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe