CID 54281113

2-(1-methylethyl)-4-propylthiazole

Structural Information

Molecular Formula
C9H15NS
SMILES
CCCC1=CSC(=N1)C(C)C
InChI
InChI=1S/C9H15NS/c1-4-5-8-6-11-9(10-8)7(2)3/h6-7H,4-5H2,1-3H3
InChIKey
RQVTUZSNNLPWLJ-UHFFFAOYSA-N
Compound name
2-propan-2-yl-4-propyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

169.09251 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09979 136.8
[M+Na]+ 192.08173 145.4
[M-H]- 168.08523 139.6
[M+NH4]+ 187.12633 158.9
[M+K]+ 208.05567 143.5
[M+H-H2O]+ 152.08977 131.0
[M+HCOO]- 214.09071 154.6
[M+CH3COO]- 228.10636 180.0
[M+Na-2H]- 190.06718 137.2
[M]+ 169.09196 140.1
[M]- 169.09306 140.1
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