CID 165646914

Tert-butyl n-(5-bromo-4-methylthiophen-2-yl)carbamate

Structural Information

Molecular Formula
C10H14BrNO2S
SMILES
CC1=C(SC(=C1)NC(=O)OC(C)(C)C)Br
InChI
InChI=1S/C10H14BrNO2S/c1-6-5-7(15-8(6)11)12-9(13)14-10(2,3)4/h5H,1-4H3,(H,12,13)
InChIKey
GHIIDBWBMIRHHR-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-bromo-4-methylthiophen-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.99286 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.00014 154.3
[M+Na]+ 313.98208 166.4
[M-H]- 289.98558 161.3
[M+NH4]+ 309.02668 176.3
[M+K]+ 329.95602 155.1
[M+H-H2O]+ 273.99012 154.4
[M+HCOO]- 335.99106 170.8
[M+CH3COO]- 350.00671 197.1
[M+Na-2H]- 311.96753 157.0
[M]+ 290.99231 176.5
[M]- 290.99341 176.5
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

No patent data available for this compound.