CID 84670418

3-bromo-5h,6h,7h-pyrrolo[1,2-a]imidazol-6-amine hydrochloride

Structural Information

Molecular Formula
C6H8BrN3
SMILES
C1C(CN2C1=NC=C2Br)N
InChI
InChI=1S/C6H8BrN3/c7-5-2-9-6-1-4(8)3-10(5)6/h2,4H,1,3,8H2
InChIKey
FNZOBVYUIXQUSB-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.99016 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 136.7
[M+Na]+ 223.97938 149.9
[M-H]- 199.98288 141.6
[M+NH4]+ 219.02398 161.1
[M+K]+ 239.95332 139.5
[M+H-H2O]+ 183.98742 136.2
[M+HCOO]- 245.98836 157.8
[M+CH3COO]- 260.00401 152.3
[M+Na-2H]- 221.96483 142.4
[M]+ 200.98961 153.1
[M]- 200.99071 153.1
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.