CID 121599740

Pent-4-yne-1-sulfonamide

Structural Information

Molecular Formula
C5H9NO2S
SMILES
C#CCCCS(=O)(=O)N
InChI
InChI=1S/C5H9NO2S/c1-2-3-4-5-9(6,7)8/h1H,3-5H2,(H2,6,7,8)
InChIKey
KDSNTFJJJGFTHC-UHFFFAOYSA-N
Compound name
pent-4-yne-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

147.0354 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.042676 134.8
[M+Na]+ 170.024618 144.6
[M-H]- 146.028124 135.0
[M+NH4]+ 165.069223 153.9
[M+K]+ 185.998558 142.9
[M+H-H2O]+ 130.032660 124.3
[M+HCOO]- 192.033601 147.8
[M+CH3COO]- 206.049251 182.0
[M+Na-2H]- 168.010066 137.6
[M]+ 147.03485142 130.9
[M]- 147.03594858 130.9
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