CID 155804394

2451481-08-4

Structural Information

Molecular Formula
C11H20ClNO3S
SMILES
CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl
InChI
InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3
InChIKey
NMHVAHHYKGXBMY-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

281.08524 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09252 161.9
[M+Na]+ 304.07446 168.9
[M-H]- 280.07796 166.8
[M+NH4]+ 299.11906 183.4
[M+K]+ 320.04840 166.5
[M+H-H2O]+ 264.08250 158.7
[M+HCOO]- 326.08344 173.9
[M+CH3COO]- 340.09909 198.0
[M+Na-2H]- 302.05991 162.2
[M]+ 281.08469 166.7
[M]- 281.08579 166.7
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