CID 13116693

2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid

Structural Information

Molecular Formula
C6H4N2O4S
SMILES
C1=C(N=C(S1)NC=O)C(=O)C(=O)O
InChI
InChI=1S/C6H4N2O4S/c9-2-7-6-8-3(1-13-6)4(10)5(11)12/h1-2H,(H,11,12)(H,7,8,9)
InChIKey
JPJMIBGVCGNFQD-UHFFFAOYSA-N
Compound name
2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

199.98918 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99646 138.6
[M+Na]+ 222.97840 146.7
[M-H]- 198.98190 140.2
[M+NH4]+ 218.02300 157.3
[M+K]+ 238.95234 144.9
[M+H-H2O]+ 182.98644 132.5
[M+HCOO]- 244.98738 157.0
[M+CH3COO]- 259.00303 179.6
[M+Na-2H]- 220.96385 139.9
[M]+ 199.98863 140.8
[M]- 199.98973 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe