CID 11286886

4-thiazoleacetic acid, 2-(formylamino)-

Structural Information

Molecular Formula
C6H6N2O3S
SMILES
C1=C(N=C(S1)NC=O)CC(=O)O
InChI
InChI=1S/C6H6N2O3S/c9-3-7-6-8-4(2-12-6)1-5(10)11/h2-3H,1H2,(H,10,11)(H,7,8,9)
InChIKey
MXBRIEOXXKWWCE-UHFFFAOYSA-N
Compound name
2-(2-formamido-1,3-thiazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

186.00992 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.017196 136.0
[M+Na]+ 208.999138 144.4
[M-H]- 185.002644 137.6
[M+NH4]+ 204.043743 155.6
[M+K]+ 224.973078 142.2
[M+H-H2O]+ 169.007180 129.9
[M+HCOO]- 231.008121 155.1
[M+CH3COO]- 245.023771 177.4
[M+Na-2H]- 206.984586 138.2
[M]+ 186.00937142 138.2
[M]- 186.01046858 138.2
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