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

95
Patents

233.98264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.98992 138.4
[M+Na]+ 256.97186 152.1
[M-H]- 232.97536 144.1
[M+NH4]+ 252.01646 161.3
[M+K]+ 272.94580 140.3
[M+H-H2O]+ 216.97990 138.7
[M+HCOO]- 278.98084 154.6
[M+CH3COO]- 292.99649 188.1
[M+Na-2H]- 254.95731 142.3
[M]+ 233.98209 158.0
[M]- 233.98319 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