CID 116872629

3-(5-bromothiophen-2-yl)oxetan-3-amine hydrochloride

Structural Information

Molecular Formula
C7H8BrNOS
SMILES
C1C(CO1)(C2=CC=C(S2)Br)N
InChI
InChI=1S/C7H8BrNOS/c8-6-2-1-5(11-6)7(9)3-10-4-7/h1-2H,3-4,9H2
InChIKey
QQYQKTGHANPHQG-UHFFFAOYSA-N
Compound name
3-(5-bromothiophen-2-yl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.951 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95828 130.5
[M+Na]+ 255.94022 128.3
[M+NH4]+ 250.98482 134.2
[M+K]+ 271.91416 129.8
[M-H]- 231.94372 131.2
[M+Na-2H]- 253.92567 132.9
[M]+ 232.95045 128.7
[M]- 232.95155 128.7
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

No patent data available for this compound.