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]+ 128.99914 119.9
[M+Na]+ 150.98108 129.7
[M-H]- 126.98458 121.5
[M+NH4]+ 146.02568 141.4
[M+K]+ 166.95502 129.3
[M+H-H2O]+ 110.98912 115.4
[M+HCOO]- 172.99006 141.7
[M+CH3COO]- 187.00571 167.4
[M+Na-2H]- 148.96653 125.1
[M]+ 127.99131 120.6
[M]- 127.99241 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.