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]+ 148.04268 134.8
[M+Na]+ 170.02462 144.6
[M-H]- 146.02812 135.0
[M+NH4]+ 165.06922 153.9
[M+K]+ 185.99856 142.9
[M+H-H2O]+ 130.03266 124.3
[M+HCOO]- 192.03360 147.8
[M+CH3COO]- 206.04925 182.0
[M+Na-2H]- 168.01007 137.6
[M]+ 147.03485 130.9
[M]- 147.03595 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