CID 15759194

Tert-butyl n-(5-bromothiophen-3-yl)carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
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

No literature data available for this compound.

Patent stripe

patents stripe