CID 127264011

2055841-46-6

Structural Information

Molecular Formula
C6H6N2O4S
SMILES
COC(=O)C1=C(C(=NS1)C(=O)O)N
InChI
InChI=1S/C6H6N2O4S/c1-12-6(11)4-2(7)3(5(9)10)8-13-4/h7H2,1H3,(H,9,10)
InChIKey
MFSXBUFVGCZJCD-UHFFFAOYSA-N
Compound name
4-amino-5-methoxycarbonyl-1,2-thiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.00482 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01210 139.5
[M+Na]+ 224.99404 148.3
[M-H]- 200.99754 141.0
[M+NH4]+ 220.03864 158.3
[M+K]+ 240.96798 146.7
[M+H-H2O]+ 185.00208 133.6
[M+HCOO]- 247.00302 157.1
[M+CH3COO]- 261.01867 180.5
[M+Na-2H]- 222.97949 139.1
[M]+ 202.00427 141.8
[M]- 202.00537 141.8
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.