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]+ 217.03899 143.4
[M+Na]+ 239.02093 151.0
[M-H]- 215.02443 144.5
[M+NH4]+ 234.06553 160.5
[M+K]+ 254.99487 149.7
[M+H-H2O]+ 199.02897 135.9
[M+HCOO]- 261.02991 162.1
[M+CH3COO]- 275.04556 187.4
[M+Na-2H]- 237.00638 144.6
[M]+ 216.03116 145.4
[M]- 216.03226 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.