CID 3046804

2-tert-butylamino-1-(3,4,5-tribromo-2-thienyl)ethanol

Structural Information

Molecular Formula
C10H14Br3NOS
SMILES
CC(C)(C)NCC(C1=C(C(=C(S1)Br)Br)Br)O
InChI
InChI=1S/C10H14Br3NOS/c1-10(2,3)14-4-5(15)8-6(11)7(12)9(13)16-8/h5,14-15H,4H2,1-3H3
InChIKey
GZIZNAUDKBTEPL-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-(3,4,5-tribromothiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.83463 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.84191 155.8
[M+Na]+ 455.82385 164.1
[M-H]- 431.82735 160.8
[M+NH4]+ 450.86845 170.1
[M+K]+ 471.79779 146.9
[M+H-H2O]+ 415.83189 169.2
[M+HCOO]- 477.83283 161.8
[M+CH3COO]- 491.84848 227.0
[M+Na-2H]- 453.80930 157.4
[M]+ 432.83408 196.7
[M]- 432.83518 196.7
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

No patent data available for this compound.