CID 479434

2-heptylsulfonylacetamide

Structural Information

Molecular Formula
C9H19NO3S
SMILES
CCCCCCCS(=O)(=O)CC(=O)N
InChI
InChI=1S/C9H19NO3S/c1-2-3-4-5-6-7-14(12,13)8-9(10)11/h2-8H2,1H3,(H2,10,11)
InChIKey
PWRSIDRKJABLCU-UHFFFAOYSA-N
Compound name
2-heptylsulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

221.10857 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.115846 150.3
[M+Na]+ 244.097788 155.9
[M-H]- 220.101294 149.6
[M+NH4]+ 239.142393 168.4
[M+K]+ 260.071728 153.6
[M+H-H2O]+ 204.105830 144.6
[M+HCOO]- 266.106771 166.6
[M+CH3COO]- 280.122421 188.7
[M+Na-2H]- 242.083236 151.2
[M]+ 221.10802142 153.8
[M]- 221.10911858 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.