CID 6399474

120570-48-1

Structural Information

Molecular Formula
C5H5N3O3S
SMILES
C1=C(N=C(S1)N)/C(=N/O)/C(=O)O
InChI
InChI=1S/C5H5N3O3S/c6-5-7-2(1-12-5)3(8-11)4(9)10/h1,11H,(H2,6,7)(H,9,10)/b8-3-
InChIKey
URGSBEYHHRKMJL-BAQGIRSFSA-N
Compound name
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

159
Patents

187.00516 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.012436 135.8
[M+Na]+ 209.994378 143.4
[M-H]- 185.997884 137.0
[M+NH4]+ 205.038983 154.7
[M+K]+ 225.968318 141.5
[M+H-H2O]+ 170.002420 129.4
[M+HCOO]- 232.003361 154.5
[M+CH3COO]- 246.019011 179.2
[M+Na-2H]- 207.979826 137.0
[M]+ 187.00461142 135.1
[M]- 187.00570858 135.1
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