CID 574813

2-isobutyl-4-methylthiazole

Structural Information

Molecular Formula
C8H13NS
SMILES
CC1=CSC(=N1)CC(C)C
InChI
InChI=1S/C8H13NS/c1-6(2)4-8-9-7(3)5-10-8/h5-6H,4H2,1-3H3
InChIKey
JBUCYVMFLWLDIO-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-methylpropyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

155.07687 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08415 133.9
[M+Na]+ 178.06609 145.3
[M+NH4]+ 173.11069 143.4
[M+K]+ 194.04003 138.8
[M-H]- 154.06959 135.7
[M+Na-2H]- 176.05154 138.9
[M]+ 155.07632 136.5
[M]- 155.07742 136.5
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