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 154.3
[M+Na]+ 298.04132 166.1
[M-H]- 274.04482 162.7
[M+NH4]+ 293.08592 177.5
[M+K]+ 314.01526 157.3
[M+H-H2O]+ 258.04936 155.0
[M+HCOO]- 320.05030 176.0
[M+CH3COO]- 334.06595 201.5
[M+Na-2H]- 296.02677 159.1
[M]+ 275.05155 177.1
[M]- 275.05265 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.