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]+ 276.059376 154.3
[M+Na]+ 298.041318 166.1
[M-H]- 274.044824 162.7
[M+NH4]+ 293.085923 177.5
[M+K]+ 314.015258 157.3
[M+H-H2O]+ 258.049360 155.0
[M+HCOO]- 320.050301 176.0
[M+CH3COO]- 334.065951 201.5
[M+Na-2H]- 296.026766 159.1
[M]+ 275.05155142 177.1
[M]- 275.05264858 177.1
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.