CID 56109

(2-benzothiazolylamino)oxoacetic acid

Structural Information

Molecular Formula
C9H6N2O3S
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(=O)C(=O)O
InChI
InChI=1S/C9H6N2O3S/c12-7(8(13)14)11-9-10-5-3-1-2-4-6(5)15-9/h1-4H,(H,13,14)(H,10,11,12)
InChIKey
RXUORKOATDNJFN-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-ylamino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

222.00992 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.01720 144.4
[M+Na]+ 244.99914 154.8
[M+NH4]+ 240.04374 151.7
[M+K]+ 260.97308 150.4
[M-H]- 221.00264 144.8
[M+Na-2H]- 242.98459 148.9
[M]+ 222.00937 146.1
[M]- 222.01047 146.1
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