CID 42282034

814255-78-2

Structural Information

Molecular Formula
C6H8BrNS
SMILES
CNCC1=CC(=CS1)Br
InChI
InChI=1S/C6H8BrNS/c1-8-3-6-2-5(7)4-9-6/h2,4,8H,3H2,1H3
InChIKey
NAVCVBRGBJGGFK-UHFFFAOYSA-N
Compound name
1-(4-bromothiophen-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

204.95609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.963366 129.2
[M+Na]+ 227.945308 142.2
[M-H]- 203.948814 136.3
[M+NH4]+ 222.989913 154.3
[M+K]+ 243.919248 130.8
[M+H-H2O]+ 187.953350 129.7
[M+HCOO]- 249.954291 148.9
[M+CH3COO]- 263.969941 182.8
[M+Na-2H]- 225.930756 134.7
[M]+ 204.95554142 149.1
[M]- 204.95663858 149.1
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