CID 135580627

Isothiazole-5-carboxaldehyde, oxime, (z)-

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]+ 129.011716 121.0
[M+Na]+ 150.993658 130.5
[M-H]- 126.997164 124.1
[M+NH4]+ 146.038263 144.0
[M+K]+ 166.967598 128.9
[M+H-H2O]+ 111.001700 115.2
[M+HCOO]- 173.002641 142.9
[M+CH3COO]- 187.018291 168.1
[M+Na-2H]- 148.979106 126.3
[M]+ 128.00389142 122.5
[M]- 128.00498858 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.