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

1001
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 127.7
[M+Na]+ 164.05044 137.2
[M-H]- 140.05394 130.9
[M+NH4]+ 159.09504 150.9
[M+K]+ 180.02438 135.8
[M+H-H2O]+ 124.05848 122.3
[M+HCOO]- 186.05942 146.1
[M+CH3COO]- 200.07507 174.0
[M+Na-2H]- 162.03589 129.2
[M]+ 141.06067 130.3
[M]- 141.06177 130.3
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