CID 131527705

2091856-13-0

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
CC1=C(N2CC(CC2=N1)C(=O)OC)Br
InChI
InChI=1S/C9H11BrN2O2/c1-5-8(10)12-4-6(9(13)14-2)3-7(12)11-5/h6H,3-4H2,1-2H3
InChIKey
IARQMIFXBRWCNV-UHFFFAOYSA-N
Compound name
methyl 3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0004 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00768 156.9
[M+Na]+ 280.98962 157.7
[M+NH4]+ 276.03422 160.5
[M+K]+ 296.96356 161.7
[M-H]- 256.99312 154.9
[M+Na-2H]- 278.97507 155.8
[M]+ 257.99985 154.9
[M]- 258.00095 154.9
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.