CID 84648852

3-methoxy-1,2-thiazole-4-carbaldehyde

Structural Information

Molecular Formula
C5H5NO2S
SMILES
COC1=NSC=C1C=O
InChI
InChI=1S/C5H5NO2S/c1-8-5-4(2-7)3-9-6-5/h2-3H,1H3
InChIKey
PIGINYUCUQENJI-UHFFFAOYSA-N
Compound name
3-methoxy-1,2-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.0041 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.011376 124.4
[M+Na]+ 165.993318 135.1
[M-H]- 141.996824 127.8
[M+NH4]+ 161.037923 147.4
[M+K]+ 181.967258 134.0
[M+H-H2O]+ 126.001360 119.1
[M+HCOO]- 188.002301 145.2
[M+CH3COO]- 202.017951 170.1
[M+Na-2H]- 163.978766 128.1
[M]+ 143.00355142 129.0
[M]- 143.00464858 129.0
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.