CID 165949905

Methyl 3-bromo-5h,6h,7h-pyrrolo[1,2-c]imidazole-1-carboxylate

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
COC(=O)C1=C2CCCN2C(=N1)Br
InChI
InChI=1S/C8H9BrN2O2/c1-13-7(12)6-5-3-2-4-11(5)8(9)10-6/h2-4H2,1H3
InChIKey
DHIAJBPFIUFHDR-UHFFFAOYSA-N
Compound name
methyl 3-bromo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.98474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.992016 147.2
[M+Na]+ 266.973958 160.3
[M-H]- 242.977464 152.5
[M+NH4]+ 262.018563 170.5
[M+K]+ 282.947898 151.0
[M+H-H2O]+ 226.982000 147.2
[M+HCOO]- 288.982941 166.9
[M+CH3COO]- 302.998591 187.7
[M+Na-2H]- 264.959406 151.4
[M]+ 243.98419142 167.3
[M]- 243.98528858 167.3
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.