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 151.4
[M+Na]+ 280.98962 164.8
[M-H]- 256.99312 156.9
[M+NH4]+ 276.03422 174.4
[M+K]+ 296.96356 155.2
[M+H-H2O]+ 240.99766 151.5
[M+HCOO]- 302.99860 170.7
[M+CH3COO]- 317.01425 191.5
[M+Na-2H]- 278.97507 154.4
[M]+ 257.99985 172.1
[M]- 258.00095 172.1
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.