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 123.3
[M+Na]+ 255.94022 133.8
[M-H]- 231.94372 133.0
[M+NH4]+ 250.98482 141.1
[M+K]+ 271.91416 127.0
[M+H-H2O]+ 215.94826 119.8
[M+HCOO]- 277.94920 140.2
[M+CH3COO]- 291.96485 187.7
[M+Na-2H]- 253.92567 130.0
[M]+ 232.95045 149.9
[M]- 232.95155 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.