CID 13164363

Tert-butyl n-(2-bromothiophen-3-yl)carbamate

Structural Information

Molecular Formula
C9H12BrNO2S
SMILES
CC(C)(C)OC(=O)NC1=C(SC=C1)Br
InChI
InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-6-4-5-14-7(6)10/h4-5H,1-3H3,(H,11,12)
InChIKey
UCPJQSLSJLTVND-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-bromothiophen-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

276.9772 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.984476 150.6
[M+Na]+ 299.966418 162.4
[M-H]- 275.969924 157.5
[M+NH4]+ 295.011023 172.9
[M+K]+ 315.940358 151.3
[M+H-H2O]+ 259.974460 150.8
[M+HCOO]- 321.975401 167.5
[M+CH3COO]- 335.991051 193.2
[M+Na-2H]- 297.951866 154.4
[M]+ 276.97665142 172.2
[M]- 276.97774858 172.2
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