CID 131027473

1-(3-methoxy-1,2-thiazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C6H7NO2S
SMILES
CC(=O)C1=CC(=NS1)OC
InChI
InChI=1S/C6H7NO2S/c1-4(8)5-3-6(9-2)7-10-5/h3H,1-2H3
InChIKey
GSIGLGBGYKKNKH-UHFFFAOYSA-N
Compound name
1-(3-methoxy-1,2-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.01974 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 129.4
[M+Na]+ 180.00896 139.3
[M-H]- 156.01246 132.7
[M+NH4]+ 175.05356 151.7
[M+K]+ 195.98290 138.4
[M+H-H2O]+ 140.01700 124.0
[M+HCOO]- 202.01794 148.8
[M+CH3COO]- 216.03359 174.0
[M+Na-2H]- 177.99441 131.5
[M]+ 157.01919 133.7
[M]- 157.02029 133.7
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.