CID 479443

2-(3,7-dimethyloctylsulfonyl)acetamide

Structural Information

Molecular Formula
C12H25NO3S
SMILES
CC(C)CCCC(C)CCS(=O)(=O)CC(=O)N
InChI
InChI=1S/C12H25NO3S/c1-10(2)5-4-6-11(3)7-8-17(15,16)9-12(13)14/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKey
GKNBLKDDQLNAIV-UHFFFAOYSA-N
Compound name
2-(3,7-dimethyloctylsulfonyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

263.15552 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.16280 163.4
[M+Na]+ 286.14474 167.2
[M-H]- 262.14824 162.3
[M+NH4]+ 281.18934 179.7
[M+K]+ 302.11868 165.3
[M+H-H2O]+ 246.15278 157.5
[M+HCOO]- 308.15372 176.7
[M+CH3COO]- 322.16937 199.4
[M+Na-2H]- 284.13019 160.8
[M]+ 263.15497 166.9
[M]- 263.15607 166.9
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