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]+ 211.98178 134.5
[M+Na]+ 233.96372 149.9
[M-H]- 209.96722 137.5
[M+NH4]+ 229.00832 156.3
[M+K]+ 249.93766 138.2
[M+H-H2O]+ 193.97176 127.0
[M+HCOO]- 255.97270 153.6
[M+CH3COO]- 269.98835 148.7
[M+Na-2H]- 231.94917 140.2
[M]+ 210.97395 146.1
[M]- 210.97505 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.