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 140.4
[M+Na]+ 208.07665 149.0
[M-H]- 184.08015 142.2
[M+NH4]+ 203.12125 161.3
[M+K]+ 224.05059 146.9
[M+H-H2O]+ 168.08469 135.1
[M+HCOO]- 230.08563 155.8
[M+CH3COO]- 244.10128 181.3
[M+Na-2H]- 206.06210 138.7
[M]+ 185.08688 143.0
[M]- 185.08798 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.