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 121.0
[M+Na]+ 150.99366 130.5
[M-H]- 126.99716 124.1
[M+NH4]+ 146.03826 144.0
[M+K]+ 166.96760 128.9
[M+H-H2O]+ 111.00170 115.2
[M+HCOO]- 173.00264 142.9
[M+CH3COO]- 187.01829 168.1
[M+Na-2H]- 148.97911 126.3
[M]+ 128.00389 122.5
[M]- 128.00499 122.5
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.