CID 59860

Brn 4676886

Structural Information

Molecular Formula
C9H14BrNO2
SMILES
CC1=C(C(=O)OC1(C)CN(C)C)Br
InChI
InChI=1S/C9H14BrNO2/c1-6-7(10)8(12)13-9(6,2)5-11(3)4/h5H2,1-4H3
InChIKey
BDABRNBCSKBMST-UHFFFAOYSA-N
Compound name
3-bromo-5-[(dimethylamino)methyl]-4,5-dimethylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.02078 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.02806 144.9
[M+Na]+ 270.01000 157.5
[M-H]- 246.01350 153.7
[M+NH4]+ 265.05460 169.2
[M+K]+ 285.98394 149.2
[M+H-H2O]+ 230.01804 146.0
[M+HCOO]- 292.01898 167.3
[M+CH3COO]- 306.03463 195.9
[M+Na-2H]- 267.99545 150.8
[M]+ 247.02023 167.0
[M]- 247.02133 167.0
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.