CID 139026856

2361634-58-2

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
CCOC(=O)C1=C(NC(=N1)C2CC2)Br
InChI
InChI=1S/C9H11BrN2O2/c1-2-14-9(13)6-7(10)12-8(11-6)5-3-4-5/h5H,2-4H2,1H3,(H,11,12)
InChIKey
XMFCNVDRQVETOF-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-2-cyclopropyl-1H-imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0004 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00768 152.7
[M+Na]+ 280.98962 166.5
[M-H]- 256.99312 159.3
[M+NH4]+ 276.03422 167.6
[M+K]+ 296.96356 154.0
[M+H-H2O]+ 240.99766 151.5
[M+HCOO]- 302.99860 171.7
[M+CH3COO]- 317.01425 191.4
[M+Na-2H]- 278.97507 156.6
[M]+ 257.99985 173.3
[M]- 258.00095 173.3
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.