CID 178244273

1-hydroxy-n-(oxomethylidene)prop-1-ene-1-sulfonamide

Structural Information

Molecular Formula
C4H5NO4S
SMILES
CC=C(O)S(=O)(=O)N=C=O
InChI
InChI=1S/C4H5NO4S/c1-2-4(7)10(8,9)5-3-6/h2,7H,1H3
InChIKey
QYGOHBBKTINXOL-UHFFFAOYSA-N
Compound name
1-hydroxy-N-(oxomethylidene)prop-1-ene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.99393 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.001206 128.6
[M+Na]+ 185.983148 137.0
[M-H]- 161.986654 129.5
[M+NH4]+ 181.027753 149.2
[M+K]+ 201.957088 135.4
[M+H-H2O]+ 145.991190 123.9
[M+HCOO]- 207.992131 147.7
[M+CH3COO]- 222.007781 173.1
[M+Na-2H]- 183.968596 133.2
[M]+ 162.99338142 131.2
[M]- 162.99447858 131.2
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.