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]+ 222.11585 150.3
[M+Na]+ 244.09779 155.9
[M-H]- 220.10129 149.6
[M+NH4]+ 239.14239 168.4
[M+K]+ 260.07173 153.6
[M+H-H2O]+ 204.10583 144.6
[M+HCOO]- 266.10677 166.6
[M+CH3COO]- 280.12242 188.7
[M+Na-2H]- 242.08324 151.2
[M]+ 221.10802 153.8
[M]- 221.10912 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.