CID 72212717

1196155-47-1

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1CCN2C(=C(C=N2)Br)C1
InChI
InChI=1S/C7H9BrN2/c8-6-5-9-10-4-2-1-3-7(6)10/h5H,1-4H2
InChIKey
RHPLGVPJDFRGHY-UHFFFAOYSA-N
Compound name
3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

199.9949 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 135.7
[M+Na]+ 222.98412 147.7
[M-H]- 198.98762 140.2
[M+NH4]+ 218.02872 158.9
[M+K]+ 238.95806 137.5
[M+H-H2O]+ 182.99216 135.6
[M+HCOO]- 244.99310 154.1
[M+CH3COO]- 259.00875 150.9
[M+Na-2H]- 220.96957 143.7
[M]+ 199.99435 151.9
[M]- 199.99545 151.9
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