CID 117413

Schembl4651914

Structural Information

Molecular Formula
C4H5NO3S
SMILES
CC=CS(=O)(=O)N=C=O
InChI
InChI=1S/C4H5NO3S/c1-2-3-9(7,8)5-4-6/h2-3H,1H3
InChIKey
DAONPBQTUWQEQJ-UHFFFAOYSA-N
Compound name
N-(oxomethylidene)prop-1-ene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

146.99901 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.006286 124.9
[M+Na]+ 169.988228 134.2
[M-H]- 145.991734 127.3
[M+NH4]+ 165.032833 147.1
[M+K]+ 185.962168 132.8
[M+H-H2O]+ 129.996270 120.2
[M+HCOO]- 191.997211 146.4
[M+CH3COO]- 206.012861 172.8
[M+Na-2H]- 167.973676 130.9
[M]+ 146.99846142 128.7
[M]- 146.99955858 128.7
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

patents stripe