CID 45121687

877398-86-2

Structural Information

Molecular Formula
C6H7NO2S
SMILES
COCC1=NC=C(S1)C=O
InChI
InChI=1S/C6H7NO2S/c1-9-4-6-7-2-5(3-8)10-6/h2-3H,4H2,1H3
InChIKey
MUSZWYGWCDSJBH-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

157.01974 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.027016 129.0
[M+Na]+ 180.008958 139.2
[M-H]- 156.012464 132.2
[M+NH4]+ 175.053563 151.3
[M+K]+ 195.982898 137.8
[M+H-H2O]+ 140.017000 123.4
[M+HCOO]- 202.017941 149.4
[M+CH3COO]- 216.033591 173.2
[M+Na-2H]- 177.994406 132.1
[M]+ 157.01919142 133.9
[M]- 157.02028858 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