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]+ 233.958276 123.3
[M+Na]+ 255.940218 133.8
[M-H]- 231.943724 133.0
[M+NH4]+ 250.984823 141.1
[M+K]+ 271.914158 127.0
[M+H-H2O]+ 215.948260 119.8
[M+HCOO]- 277.949201 140.2
[M+CH3COO]- 291.964851 187.7
[M+Na-2H]- 253.925666 130.0
[M]+ 232.95045142 149.9
[M]- 232.95154858 149.9
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

No patent data available for this compound.