CID 165764432

2758001-61-3

Structural Information

Molecular Formula
C9H13BrN2O2
SMILES
CCOC(=O)CC1=C(N(C(=N1)Br)C)C
InChI
InChI=1S/C9H13BrN2O2/c1-4-14-8(13)5-7-6(2)12(3)9(10)11-7/h4-5H2,1-3H3
InChIKey
OJIIWTDOUJBUSC-UHFFFAOYSA-N
Compound name
ethyl 2-(2-bromo-1,5-dimethylimidazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.01605 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.023326 148.1
[M+Na]+ 283.005268 161.4
[M-H]- 259.008774 152.6
[M+NH4]+ 278.049873 168.6
[M+K]+ 298.979208 151.2
[M+H-H2O]+ 243.013310 147.4
[M+HCOO]- 305.014251 168.1
[M+CH3COO]- 319.029901 193.3
[M+Na-2H]- 280.990716 152.0
[M]+ 260.01550142 170.6
[M]- 260.01659858 170.6
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.