CID 165468834

2770368-66-4

Structural Information

Molecular Formula
C6H7BrN2OS
SMILES
C1C(CO1)(C2=NC=C(S2)Br)N
InChI
InChI=1S/C6H7BrN2OS/c7-4-1-9-5(11-4)6(8)2-10-3-6/h1H,2-3,8H2
InChIKey
KIWFWRYGGKGQJU-UHFFFAOYSA-N
Compound name
3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.94624 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95352 121.0
[M+Na]+ 256.93546 131.8
[M-H]- 232.93896 129.5
[M+NH4]+ 251.98006 137.6
[M+K]+ 272.90940 125.3
[M+H-H2O]+ 216.94350 116.9
[M+HCOO]- 278.94444 137.2
[M+CH3COO]- 292.96009 187.3
[M+Na-2H]- 254.92091 128.1
[M]+ 233.94569 147.7
[M]- 233.94679 147.7
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.