CID 87139669

1-formylcyclopropane-1-sulfonamide

Structural Information

Molecular Formula
C4H7NO3S
SMILES
C1CC1(C=O)S(=O)(=O)N
InChI
InChI=1S/C4H7NO3S/c5-9(7,8)4(3-6)1-2-4/h3H,1-2H2,(H2,5,7,8)
InChIKey
XTZWWIXDISJKIY-UHFFFAOYSA-N
Compound name
1-formylcyclopropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

149.01466 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.02194 125.9
[M+Na]+ 172.00388 136.2
[M-H]- 148.00738 130.5
[M+NH4]+ 167.04848 143.9
[M+K]+ 187.97782 134.1
[M+H-H2O]+ 132.01192 121.9
[M+HCOO]- 194.01286 144.8
[M+CH3COO]- 208.02851 174.5
[M+Na-2H]- 169.98933 132.5
[M]+ 149.01411 130.1
[M]- 149.01521 130.1
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