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

17
Patents

190.94043 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.947706 125.5
[M+Na]+ 213.929648 138.8
[M-H]- 189.933154 132.2
[M+NH4]+ 208.974253 150.8
[M+K]+ 229.903588 127.2
[M+H-H2O]+ 173.937690 126.1
[M+HCOO]- 235.938631 144.9
[M+CH3COO]- 249.954281 179.3
[M+Na-2H]- 211.915096 130.4
[M]+ 190.93988142 144.1
[M]- 190.94097858 144.1
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