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]+ 186.094706 140.4
[M+Na]+ 208.076648 149.0
[M-H]- 184.080154 142.2
[M+NH4]+ 203.121253 161.3
[M+K]+ 224.050588 146.9
[M+H-H2O]+ 168.084690 135.1
[M+HCOO]- 230.085631 155.8
[M+CH3COO]- 244.101281 181.3
[M+Na-2H]- 206.062096 138.7
[M]+ 185.08688142 143.0
[M]- 185.08797858 143.0
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.