CID 131457544

2090442-83-2

Structural Information

Molecular Formula
C9H12N2O3S
SMILES
COC(=O)C1=C(N=C(S1)N)C2CCCO2
InChI
InChI=1S/C9H12N2O3S/c1-13-8(12)7-6(11-9(10)15-7)5-3-2-4-14-5/h5H,2-4H2,1H3,(H2,10,11)
InChIKey
DORZLOFGROLDBM-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.05687 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.064146 149.3
[M+Na]+ 251.046088 157.3
[M-H]- 227.049594 155.7
[M+NH4]+ 246.090693 168.5
[M+K]+ 267.020028 156.8
[M+H-H2O]+ 211.054130 143.6
[M+HCOO]- 273.055071 167.2
[M+CH3COO]- 287.070721 186.4
[M+Na-2H]- 249.031536 148.0
[M]+ 228.05632142 151.0
[M]- 228.05741858 151.0
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.