CID 45026865

3-(2-bromophenyl)-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine

Structural Information

Molecular Formula
C12H12BrN3
SMILES
C1CNCC2=C1NN=C2C3=CC=CC=C3Br
InChI
InChI=1S/C12H12BrN3/c13-10-4-2-1-3-8(10)12-9-7-14-6-5-11(9)15-16-12/h1-4,14H,5-7H2,(H,15,16)
InChIKey
CRFJNEPWUKQMPI-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.02145 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02873 156.1
[M+Na]+ 300.01067 166.9
[M-H]- 276.01417 159.7
[M+NH4]+ 295.05527 173.4
[M+K]+ 315.98461 153.5
[M+H-H2O]+ 260.01871 154.8
[M+HCOO]- 322.01965 170.2
[M+CH3COO]- 336.03530 168.4
[M+Na-2H]- 297.99612 162.0
[M]+ 277.02090 169.1
[M]- 277.02200 169.1
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.