CID 61806780

1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethan-1-ol

Structural Information

Molecular Formula
C9H15NOS
SMILES
CC1=C(SC(=N1)C(C)C)C(C)O
InChI
InChI=1S/C9H15NOS/c1-5(2)9-10-6(3)8(12-9)7(4)11/h5,7,11H,1-4H3
InChIKey
HELXURPRECQBSH-UHFFFAOYSA-N
Compound name
1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09471 142.1
[M+Na]+ 208.07665 152.2
[M+NH4]+ 203.12125 150.3
[M+K]+ 224.05059 147.3
[M-H]- 184.08015 142.5
[M+Na-2H]- 206.06210 145.2
[M]+ 185.08688 144.0
[M]- 185.08798 144.0
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

No patent data available for this compound.