CID 2772273

852399-83-8

Structural Information

Molecular Formula
C11H18ClNO4S
SMILES
C1CC(OC1)CN(C2CCS(=O)(=O)C2)C(=O)CCl
InChI
InChI=1S/C11H18ClNO4S/c12-6-11(14)13(7-10-2-1-4-17-10)9-3-5-18(15,16)8-9/h9-10H,1-8H2
InChIKey
WCWHQZCCLNJYHW-UHFFFAOYSA-N
Compound name
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

295.0645 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07178 164.4
[M+Na]+ 318.05372 170.8
[M+NH4]+ 313.09832 172.8
[M+K]+ 334.02766 166.7
[M-H]- 294.05722 166.7
[M+Na-2H]- 316.03917 167.4
[M]+ 295.06395 166.3
[M]- 295.06505 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe