CID 43425779

1156759-54-4

Structural Information

Molecular Formula
C10H18BrNO3S
SMILES
CC(C)C(C(=O)NC1(CCS(=O)(=O)C1)C)Br
InChI
InChI=1S/C10H18BrNO3S/c1-7(2)8(11)9(13)12-10(3)4-5-16(14,15)6-10/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKey
BSUQNEMTHJYVCO-UHFFFAOYSA-N
Compound name
2-bromo-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.01907 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.02635 152.0
[M+Na]+ 334.00829 162.0
[M-H]- 310.01179 158.0
[M+NH4]+ 329.05289 175.9
[M+K]+ 349.98223 151.6
[M+H-H2O]+ 294.01633 154.4
[M+HCOO]- 356.01727 165.8
[M+CH3COO]- 370.03292 199.1
[M+Na-2H]- 331.99374 154.5
[M]+ 311.01852 171.9
[M]- 311.01962 171.9
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.