CID 67665666

4-(butan-2-yl)-2-methyl-1,3-thiazole

Structural Information

Molecular Formula
C8H13NS
SMILES
CCC(C)C1=CSC(=N1)C
InChI
InChI=1S/C8H13NS/c1-4-6(2)8-5-10-7(3)9-8/h5-6H,4H2,1-3H3
InChIKey
WUZNATZWZNKWBO-UHFFFAOYSA-N
Compound name
4-butan-2-yl-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

155.07687 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.084146 132.3
[M+Na]+ 178.066088 141.3
[M-H]- 154.069594 135.3
[M+NH4]+ 173.110693 154.9
[M+K]+ 194.040028 139.6
[M+H-H2O]+ 138.074130 126.7
[M+HCOO]- 200.075071 150.4
[M+CH3COO]- 214.090721 177.0
[M+Na-2H]- 176.051536 133.2
[M]+ 155.07632142 135.2
[M]- 155.07741858 135.2
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