CID 47002497

(3-bromothiophen-2-yl)methanamine

Structural Information

Molecular Formula
C5H6BrNS
SMILES
C1=CSC(=C1Br)CN
InChI
InChI=1S/C5H6BrNS/c6-4-1-2-8-5(4)3-7/h1-2H,3,7H2
InChIKey
WXHVQZUFYUSQPH-UHFFFAOYSA-N
Compound name
(3-bromothiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

190.94043 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.94771 125.2
[M+Na]+ 213.92965 127.0
[M+NH4]+ 208.97425 131.4
[M+K]+ 229.90359 127.2
[M-H]- 189.93315 126.4
[M+Na-2H]- 211.91510 128.3
[M]+ 190.93988 124.9
[M]- 190.94098 124.9
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