CID 60152

106609-75-0

Structural Information

Molecular Formula
C11H18BrNO2
SMILES
CCN(CC)CC1(C(=C(C(=O)O1)Br)C)C
InChI
InChI=1S/C11H18BrNO2/c1-5-13(6-2)7-11(4)8(3)9(12)10(14)15-11/h5-7H2,1-4H3
InChIKey
HFZJIUWLPSTTLY-UHFFFAOYSA-N
Compound name
3-bromo-5-(diethylaminomethyl)-4,5-dimethylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0521 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05938 158.9
[M+Na]+ 298.04132 159.8
[M+NH4]+ 293.08592 164.0
[M+K]+ 314.01526 160.5
[M-H]- 274.04482 160.0
[M+Na-2H]- 296.02677 160.2
[M]+ 275.05155 158.2
[M]- 275.05265 158.2
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.