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]+ 201.997436 136.7
[M+Na]+ 223.979378 149.9
[M-H]- 199.982884 141.6
[M+NH4]+ 219.023983 161.1
[M+K]+ 239.953318 139.5
[M+H-H2O]+ 183.987420 136.2
[M+HCOO]- 245.988361 157.8
[M+CH3COO]- 260.004011 152.3
[M+Na-2H]- 221.964826 142.4
[M]+ 200.98961142 153.1
[M]- 200.99070858 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.