CID 22367879

15901-66-3

Structural Information

Molecular Formula
C5H5NO2S
SMILES
COC(=O)C1=CC=NS1
InChI
InChI=1S/C5H5NO2S/c1-8-5(7)4-2-3-6-9-4/h2-3H,1H3
InChIKey
SEHOXOITNPIETO-UHFFFAOYSA-N
Compound name
methyl 1,2-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

143.0041 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.011376 125.8
[M+Na]+ 165.993318 135.4
[M-H]- 141.996824 129.0
[M+NH4]+ 161.037923 148.5
[M+K]+ 181.967258 134.8
[M+H-H2O]+ 126.001360 120.3
[M+HCOO]- 188.002301 145.6
[M+CH3COO]- 202.017951 169.2
[M+Na-2H]- 163.978766 129.0
[M]+ 143.00355142 129.3
[M]- 143.00464858 129.3
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