CID 729135

5-bromo-4-tert-butyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C7H11BrN2S
SMILES
CC(C)(C)C1=C(SC(=N1)N)Br
InChI
InChI=1S/C7H11BrN2S/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H2,9,10)
InChIKey
ACKLPWWFGUPXSM-UHFFFAOYSA-N
Compound name
5-bromo-4-tert-butyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

233.98264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.989916 138.4
[M+Na]+ 256.971858 152.1
[M-H]- 232.975364 144.1
[M+NH4]+ 252.016463 161.3
[M+K]+ 272.945798 140.3
[M+H-H2O]+ 216.979900 138.7
[M+HCOO]- 278.980841 154.6
[M+CH3COO]- 292.996491 188.1
[M+Na-2H]- 254.957306 142.3
[M]+ 233.98209142 158.0
[M]- 233.98318858 158.0
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