CID 580980

2-(tert-butyl)thiazole

Structural Information

Molecular Formula
C7H11NS
SMILES
CC(C)(C)C1=NC=CS1
InChI
InChI=1S/C7H11NS/c1-7(2,3)6-8-4-5-9-6/h4-5H,1-3H3
InChIKey
DQAIZGWCKXJRSP-UHFFFAOYSA-N
Compound name
2-tert-butyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1852
Patents

141.06122 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 129.3
[M+Na]+ 164.05044 138.7
[M-H]- 140.05394 132.4
[M+NH4]+ 159.09504 152.5
[M+K]+ 180.02438 137.3
[M+H-H2O]+ 124.05848 124.2
[M+HCOO]- 186.05942 147.3
[M+CH3COO]- 200.07507 171.8
[M+Na-2H]- 162.03589 133.1
[M]+ 141.06067 131.5
[M]- 141.06177 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe