CID 57578732

1-ethynylcyclopropane-1-sulfonamide

Structural Information

Molecular Formula
C5H7NO2S
SMILES
C#CC1(CC1)S(=O)(=O)N
InChI
InChI=1S/C5H7NO2S/c1-2-5(3-4-5)9(6,7)8/h1H,3-4H2,(H2,6,7,8)
InChIKey
ONTVIFURVDNFRH-UHFFFAOYSA-N
Compound name
1-ethynylcyclopropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

145.01974 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.02702 130.9
[M+Na]+ 168.00896 147.0
[M-H]- 144.01246 136.8
[M+NH4]+ 163.05356 149.0
[M+K]+ 183.98290 141.8
[M+H-H2O]+ 128.01700 123.7
[M+HCOO]- 190.01794 145.8
[M+CH3COO]- 204.03359 183.5
[M+Na-2H]- 165.99441 137.4
[M]+ 145.01919 130.6
[M]- 145.02029 130.6
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