CID 45121766

854754-21-5

Structural Information

Molecular Formula
C6H7NO2S
SMILES
COCC1=NC(=CS1)C=O
InChI
InChI=1S/C6H7NO2S/c1-9-3-6-7-5(2-8)4-10-6/h2,4H,3H2,1H3
InChIKey
JCCXHAVNJUBOEN-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

157.01974 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 129.0
[M+Na]+ 180.00896 139.2
[M-H]- 156.01246 132.2
[M+NH4]+ 175.05356 151.3
[M+K]+ 195.98290 137.8
[M+H-H2O]+ 140.01700 123.4
[M+HCOO]- 202.01794 149.4
[M+CH3COO]- 216.03359 173.2
[M+Na-2H]- 177.99441 132.1
[M]+ 157.01919 133.9
[M]- 157.02029 133.9
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