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 127.1
[M+Na]+ 170.02462 135.6
[M+NH4]+ 165.06922 130.8
[M+K]+ 185.99856 127.2
[M-H]- 146.02812 118.2
[M+Na-2H]- 168.01007 127.2
[M]+ 147.03485 125.1
[M]- 147.03595 125.1
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