CID 78998551

2343963-75-5

Structural Information

Molecular Formula
C6H8BrNS
SMILES
C[C@H](C1=CC(=CS1)Br)N
InChI
InChI=1S/C6H8BrNS/c1-4(8)6-2-5(7)3-9-6/h2-4H,8H2,1H3/t4-/m1/s1
InChIKey
AXVSYXUKBUXMHZ-SCSAIBSYSA-N
Compound name
(1R)-1-(4-bromothiophen-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

204.95609 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96337 128.6
[M+Na]+ 227.94531 129.9
[M+NH4]+ 222.98991 134.6
[M+K]+ 243.91925 130.7
[M-H]- 203.94881 129.6
[M+Na-2H]- 225.93076 131.2
[M]+ 204.95554 128.2
[M]- 204.95664 128.2
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

patents stripe