CID 54208581

N-(prop-2-yn-1-yl)ethane-1-sulfonamide

Structural Information

Molecular Formula
C5H9NO2S
SMILES
CCS(=O)(=O)NCC#C
InChI
InChI=1S/C5H9NO2S/c1-3-5-6-9(7,8)4-2/h1,6H,4-5H2,2H3
InChIKey
KMLHBTGILXWYGG-UHFFFAOYSA-N
Compound name
N-prop-2-ynylethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

147.0354 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.04268 134.0
[M+Na]+ 170.02462 143.8
[M-H]- 146.02812 134.7
[M+NH4]+ 165.06922 153.4
[M+K]+ 185.99856 142.6
[M+H-H2O]+ 130.03266 123.6
[M+HCOO]- 192.03360 147.6
[M+CH3COO]- 206.04925 182.6
[M+Na-2H]- 168.01007 137.9
[M]+ 147.03485 131.1
[M]- 147.03595 131.1
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