CID 178244339

2-hydroxy-2-oxo-n-thiophen-2-ylethanimine oxide

Structural Information

Molecular Formula
C6H5NO3S
SMILES
C1=CSC(=C1)[N+](=CC(=O)O)[O-]
InChI
InChI=1S/C6H5NO3S/c8-6(9)4-7(10)5-2-1-3-11-5/h1-4H,(H,8,9)
InChIKey
YJZXVKXVVPHPOB-UHFFFAOYSA-N
Compound name
2-hydroxy-2-oxo-N-thiophen-2-ylethanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.99901 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.006286 133.7
[M+Na]+ 193.988228 140.6
[M-H]- 169.991734 136.4
[M+NH4]+ 189.032833 154.4
[M+K]+ 209.962168 134.3
[M+H-H2O]+ 153.996270 133.1
[M+HCOO]- 215.997211 153.5
[M+CH3COO]- 230.012861 165.8
[M+Na-2H]- 191.973676 137.3
[M]+ 170.99846142 131.8
[M]- 170.99955858 131.8
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.