CID 479433

2-hexylsulfonylacetamide

Structural Information

Molecular Formula
C8H17NO3S
SMILES
CCCCCCS(=O)(=O)CC(=O)N
InChI
InChI=1S/C8H17NO3S/c1-2-3-4-5-6-13(11,12)7-8(9)10/h2-7H2,1H3,(H2,9,10)
InChIKey
VHKXCAPBZWUUHO-UHFFFAOYSA-N
Compound name
2-hexylsulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

207.09291 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10019 145.8
[M+Na]+ 230.08213 151.9
[M-H]- 206.08563 145.3
[M+NH4]+ 225.12673 164.5
[M+K]+ 246.05607 149.8
[M+H-H2O]+ 190.09017 140.4
[M+HCOO]- 252.09111 162.5
[M+CH3COO]- 266.10676 185.7
[M+Na-2H]- 228.06758 147.3
[M]+ 207.09236 149.0
[M]- 207.09346 149.0
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

patents stripe