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

17
Patents

145.01974 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.027016 130.9
[M+Na]+ 168.008958 147.0
[M-H]- 144.012464 136.8
[M+NH4]+ 163.053563 149.0
[M+K]+ 183.982898 141.8
[M+H-H2O]+ 128.017000 123.7
[M+HCOO]- 190.017941 145.8
[M+CH3COO]- 204.033591 183.5
[M+Na-2H]- 165.994406 137.4
[M]+ 145.01919142 130.6
[M]- 145.02028858 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