CID 10353257

(2z)-(5-amino-1,2,4-thiadiazol-3-yl)(ethoxyimino)acetic acid

Structural Information

Molecular Formula
C6H8N4O3S
SMILES
CCO/N=C(/C1=NSC(=N1)N)\C(=O)O
InChI
InChI=1S/C6H8N4O3S/c1-2-13-9-3(5(11)12)4-8-6(7)14-10-4/h2H2,1H3,(H,11,12)(H2,7,8,10)/b9-3-
InChIKey
UFTDZEXQFNFPFR-OQFOIZHKSA-N
Compound name
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

216.03171 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.038986 143.4
[M+Na]+ 239.020928 151.0
[M-H]- 215.024434 144.5
[M+NH4]+ 234.065533 160.5
[M+K]+ 254.994868 149.7
[M+H-H2O]+ 199.028970 135.9
[M+HCOO]- 261.029911 162.1
[M+CH3COO]- 275.045561 187.4
[M+Na-2H]- 237.006376 144.6
[M]+ 216.03116142 145.4
[M]- 216.03225858 145.4
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