CID 43810464

1049604-90-1

Structural Information

Molecular Formula
C10H18ClNO3S
SMILES
CCCN(C1CCS(=O)(=O)C1)C(=O)C(C)Cl
InChI
InChI=1S/C10H18ClNO3S/c1-3-5-12(10(13)8(2)11)9-4-6-16(14,15)7-9/h8-9H,3-7H2,1-2H3
InChIKey
BBDODAQQVBHFNW-UHFFFAOYSA-N
Compound name
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.06958 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07686 158.8
[M+Na]+ 290.05880 166.0
[M+NH4]+ 285.10340 167.1
[M+K]+ 306.03274 159.8
[M-H]- 266.06230 158.6
[M+Na-2H]- 288.04425 161.8
[M]+ 267.06903 160.2
[M]- 267.07013 160.2
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

No patent data available for this compound.