CID 28833056

2-{[(5-bromothiophen-2-yl)methyl]amino}ethan-1-ol

Structural Information

Molecular Formula
C7H10BrNOS
SMILES
C1=C(SC(=C1)Br)CNCCO
InChI
InChI=1S/C7H10BrNOS/c8-7-2-1-6(11-7)5-9-3-4-10/h1-2,9-10H,3-5H2
InChIKey
CNISODFPQPLXRM-UHFFFAOYSA-N
Compound name
2-[(5-bromothiophen-2-yl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.96664 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97392 138.0
[M+Na]+ 257.95586 138.7
[M+NH4]+ 253.00046 143.2
[M+K]+ 273.92980 138.9
[M-H]- 233.95936 138.3
[M+Na-2H]- 255.94131 139.9
[M]+ 234.96609 137.2
[M]- 234.96719 137.2
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.