CID 6447114

1,2,3-thiadiazole-5-carboxaldehyde, oxime, sodium salt

Structural Information

Molecular Formula
C3H2N3OS
SMILES
C1=C(SN=N1)/C=N\[O-]
InChI
InChI=1S/C3H3N3OS/c7-5-2-3-1-4-6-8-3/h1-2,7H/p-1/b5-2-
InChIKey
AVDHSMFWZKSJRP-DJWKRKHSSA-M
Compound name
(Z)-N-oxido-1-(thiadiazol-5-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

127.99186 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.999136 119.9
[M+Na]+ 150.981078 129.7
[M-H]- 126.984584 121.5
[M+NH4]+ 146.025683 141.4
[M+K]+ 166.955018 129.3
[M+H-H2O]+ 110.989120 115.4
[M+HCOO]- 172.990061 141.7
[M+CH3COO]- 187.005711 167.4
[M+Na-2H]- 148.966526 125.1
[M]+ 127.99131142 120.6
[M]- 127.99240858 120.6
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.