CID 131332369

2-bromo-5h,6h,7h-pyrrolo[1,2-a]imidazole-3-carbonitrile

Structural Information

Molecular Formula
C7H6BrN3
SMILES
C1CC2=NC(=C(N2C1)C#N)Br
InChI
InChI=1S/C7H6BrN3/c8-7-5(4-9)11-3-1-2-6(11)10-7/h1-3H2
InChIKey
IQKJEEWLHIPKJK-UHFFFAOYSA-N
Compound name
2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.9745 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.981776 134.5
[M+Na]+ 233.963718 149.9
[M-H]- 209.967224 137.5
[M+NH4]+ 229.008323 156.3
[M+K]+ 249.937658 138.2
[M+H-H2O]+ 193.971760 127.0
[M+HCOO]- 255.972701 153.6
[M+CH3COO]- 269.988351 148.7
[M+Na-2H]- 231.949166 140.2
[M]+ 210.97395142 146.1
[M]- 210.97504858 146.1
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.