CID 135580627

Cis-isothiazole-5-carboxaldoxime

Structural Information

Molecular Formula
C4H4N2OS
SMILES
C1=C(SN=C1)/C=N\O
InChI
InChI=1S/C4H4N2OS/c7-5-3-4-1-2-6-8-4/h1-3,7H/b5-3-
InChIKey
XXDZWPGCXQRRMD-HYXAFXHYSA-N
Compound name
(NZ)-N-(1,2-thiazol-5-ylmethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.00444 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01172 123.0
[M+Na]+ 150.99366 133.4
[M+NH4]+ 146.03826 131.8
[M+K]+ 166.96760 127.7
[M-H]- 126.99716 124.5
[M+Na-2H]- 148.97911 128.7
[M]+ 128.00389 125.1
[M]- 128.00499 125.1
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.