CID 90319196

1621526-58-6

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1CC2=CC(=NN2C1)Br
InChI
InChI=1S/C6H7BrN2/c7-6-4-5-2-1-3-9(5)8-6/h4H,1-3H2
InChIKey
RYEGWNUMFCRGFU-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

185.97926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 133.5
[M+Na]+ 208.96848 147.0
[M-H]- 184.97198 138.7
[M+NH4]+ 204.01308 159.0
[M+K]+ 224.94242 137.4
[M+H-H2O]+ 168.97652 133.7
[M+HCOO]- 230.97746 154.4
[M+CH3COO]- 244.99311 149.7
[M+Na-2H]- 206.95393 140.4
[M]+ 185.97871 151.4
[M]- 185.97981 151.4
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

patents stripe