CID 18441892

603999-23-1

Structural Information

Molecular Formula
C7H7NO4S
SMILES
C1COC(O1)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C7H7NO4S/c9-6(10)4-3-8-5(13-4)7-11-1-2-12-7/h3,7H,1-2H2,(H,9,10)
InChIKey
YDRYBXHGSZTEQJ-UHFFFAOYSA-N
Compound name
2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

201.00958 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.016856 139.4
[M+Na]+ 223.998798 147.8
[M-H]- 200.002304 145.6
[M+NH4]+ 219.043403 157.9
[M+K]+ 239.972738 148.8
[M+H-H2O]+ 184.006840 134.8
[M+HCOO]- 246.007781 155.5
[M+CH3COO]- 260.023431 175.5
[M+Na-2H]- 221.984246 140.4
[M]+ 201.00903142 141.9
[M]- 201.01012858 141.9
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