CID 46739291

Tert-butyl n-[(4-bromothiophen-2-yl)methyl]carbamate

Structural Information

Molecular Formula
C10H14BrNO2S
SMILES
CC(C)(C)OC(=O)NCC1=CC(=CS1)Br
InChI
InChI=1S/C10H14BrNO2S/c1-10(2,3)14-9(13)12-5-8-4-7(11)6-15-8/h4,6H,5H2,1-3H3,(H,12,13)
InChIKey
QWJRQWPEJVQCHU-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

290.99286 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.00014 155.2
[M+Na]+ 313.98208 166.4
[M-H]- 289.98558 161.8
[M+NH4]+ 309.02668 176.9
[M+K]+ 329.95602 155.2
[M+H-H2O]+ 273.99012 155.1
[M+HCOO]- 335.99106 171.7
[M+CH3COO]- 350.00671 196.0
[M+Na-2H]- 311.96753 158.4
[M]+ 290.99231 177.0
[M]- 290.99341 177.0
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