CID 28833046

2-{[(4-bromothiophen-2-yl)methyl]amino}ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C7H10BrNOS
SMILES
C1=C(SC=C1Br)CNCCO
InChI
InChI=1S/C7H10BrNOS/c8-6-3-7(11-5-6)4-9-1-2-10/h3,5,9-10H,1-2,4H2
InChIKey
OJWIDTYBTFROLT-UHFFFAOYSA-N
Compound name
2-[(4-bromothiophen-2-yl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.96664 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97392 137.2
[M+Na]+ 257.95586 148.9
[M-H]- 233.95936 142.6
[M+NH4]+ 253.00046 160.2
[M+K]+ 273.92980 136.7
[M+H-H2O]+ 217.96390 137.3
[M+HCOO]- 279.96484 155.3
[M+CH3COO]- 293.98049 185.0
[M+Na-2H]- 255.94131 141.7
[M]+ 234.96609 156.9
[M]- 234.96719 156.9
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.