CID 3046803

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

Structural Information

Molecular Formula
C10H15Br2NOS
SMILES
CC(C)(C)NCC(C1=C(C(=CS1)Br)Br)O
InChI
InChI=1S/C10H15Br2NOS/c1-10(2,3)13-4-7(14)9-8(12)6(11)5-15-9/h5,7,13-14H,4H2,1-3H3
InChIKey
MYWDVBBOWSVOLD-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.9241 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.93138 154.1
[M+Na]+ 377.91332 164.8
[M-H]- 353.91682 160.1
[M+NH4]+ 372.95792 173.0
[M+K]+ 393.88726 147.7
[M+H-H2O]+ 337.92136 161.4
[M+HCOO]- 399.92230 164.6
[M+CH3COO]- 413.93795 210.4
[M+Na-2H]- 375.89877 156.8
[M]+ 354.92355 188.7
[M]- 354.92465 188.7
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.