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

40
Patents

204.95609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96337 129.5
[M+Na]+ 227.94531 131.3
[M+NH4]+ 222.98991 135.6
[M+K]+ 243.91925 131.1
[M-H]- 203.94881 130.8
[M+Na-2H]- 225.93076 132.7
[M]+ 204.95554 129.3
[M]- 204.95664 129.3
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