CID 479442

2-(8-methylnonylsulfonyl)acetamide

Structural Information

Molecular Formula
C12H25NO3S
SMILES
CC(C)CCCCCCCS(=O)(=O)CC(=O)N
InChI
InChI=1S/C12H25NO3S/c1-11(2)8-6-4-3-5-7-9-17(15,16)10-12(13)14/h11H,3-10H2,1-2H3,(H2,13,14)
InChIKey
PZXDPBFJVVTKKR-UHFFFAOYSA-N
Compound name
2-(8-methylnonylsulfonyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

263.15552 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.16280 163.6
[M+Na]+ 286.14474 167.7
[M-H]- 262.14824 162.4
[M+NH4]+ 281.18934 179.9
[M+K]+ 302.11868 165.1
[M+H-H2O]+ 246.15278 157.5
[M+HCOO]- 308.15372 177.9
[M+CH3COO]- 322.16937 198.5
[M+Na-2H]- 284.13019 162.0
[M]+ 263.15497 167.6
[M]- 263.15607 167.6
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