CID 24229571

331766-69-9

Structural Information

Molecular Formula
C6H8BrNS
SMILES
CNCC1=C(SC=C1)Br
InChI
InChI=1S/C6H8BrNS/c1-8-4-5-2-3-9-6(5)7/h2-3,8H,4H2,1H3
InChIKey
FOIBDCULRFTGJL-UHFFFAOYSA-N
Compound name
1-(2-bromothiophen-3-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

204.95609 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96337 129.2
[M+Na]+ 227.94531 142.2
[M-H]- 203.94881 136.3
[M+NH4]+ 222.98991 154.3
[M+K]+ 243.91925 130.8
[M+H-H2O]+ 187.95335 129.7
[M+HCOO]- 249.95429 148.9
[M+CH3COO]- 263.96994 182.8
[M+Na-2H]- 225.93076 134.7
[M]+ 204.95554 149.1
[M]- 204.95664 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