CID 520569

4-isopropyl-2-methylthiazole

Structural Information

Molecular Formula
C7H11NS
SMILES
CC1=NC(=CS1)C(C)C
InChI
InChI=1S/C7H11NS/c1-5(2)7-4-9-6(3)8-7/h4-5H,1-3H3
InChIKey
SRTOJEUVLKLAGK-UHFFFAOYSA-N
Compound name
2-methyl-4-propan-2-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

910
Patents

141.06122 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 129.5
[M+Na]+ 164.05044 141.1
[M+NH4]+ 159.09504 139.2
[M+K]+ 180.02438 134.9
[M-H]- 140.05394 131.4
[M+Na-2H]- 162.03589 134.7
[M]+ 141.06067 132.2
[M]- 141.06177 132.2
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