CID 17999222

850349-24-5

Structural Information

Molecular Formula
C9H8BrN3
SMILES
C1=CC(=CN=C1)CN2C=C(C=N2)Br
InChI
InChI=1S/C9H8BrN3/c10-9-5-12-13(7-9)6-8-2-1-3-11-4-8/h1-5,7H,6H2
InChIKey
ROCSBEALVUBRBM-UHFFFAOYSA-N
Compound name
3-[(4-bromopyrazol-1-yl)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.99016 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.997436 140.6
[M+Na]+ 259.979378 153.5
[M-H]- 235.982884 146.5
[M+NH4]+ 255.023983 160.0
[M+K]+ 275.953318 142.5
[M+H-H2O]+ 219.987420 139.0
[M+HCOO]- 281.988361 161.4
[M+CH3COO]- 296.004011 155.8
[M+Na-2H]- 257.964826 149.2
[M]+ 236.98961142 159.5
[M]- 236.99070858 159.5
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