CID 65805730

[1-(4-bromophenyl)-1h-pyrazol-3-yl]methanamine

Structural Information

Molecular Formula
C10H10BrN3
SMILES
C1=CC(=CC=C1N2C=CC(=N2)CN)Br
InChI
InChI=1S/C10H10BrN3/c11-8-1-3-10(4-2-8)14-6-5-9(7-12)13-14/h1-6H,7,12H2
InChIKey
NMPRBTXRPRRXGK-UHFFFAOYSA-N
Compound name
[1-(4-bromophenyl)pyrazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.00581 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01309 151.9
[M+Na]+ 273.99503 155.6
[M+NH4]+ 269.03963 156.6
[M+K]+ 289.96897 156.2
[M-H]- 249.99853 153.7
[M+Na-2H]- 271.98048 156.5
[M]+ 251.00526 151.7
[M]- 251.00636 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.