CID 3799594

727718-05-0

Structural Information

Molecular Formula
C10H18ClNO3S
SMILES
CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CCl
InChI
InChI=1S/C10H18ClNO3S/c1-3-8(2)12(10(13)6-11)9-4-5-16(14,15)7-9/h8-9H,3-7H2,1-2H3
InChIKey
OYNIAFDLRPXDLT-UHFFFAOYSA-N
Compound name
N-butan-2-yl-2-chloro-N-(1,1-dioxothiolan-3-yl)acetamide
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 157.4
[M+Na]+ 290.05880 164.1
[M-H]- 266.06230 162.2
[M+NH4]+ 285.10340 179.2
[M+K]+ 306.03274 161.9
[M+H-H2O]+ 250.06684 153.8
[M+HCOO]- 312.06778 170.1
[M+CH3COO]- 326.08343 196.3
[M+Na-2H]- 288.04425 156.0
[M]+ 267.06903 161.8
[M]- 267.07013 161.8
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.