CID 60762714

[(3-bromophenyl)methyl][(1-methyl-1h-pyrazol-5-yl)methyl]amine

Structural Information

Molecular Formula
C12H14BrN3
SMILES
CN1C(=CC=N1)CNCC2=CC(=CC=C2)Br
InChI
InChI=1S/C12H14BrN3/c1-16-12(5-6-15-16)9-14-8-10-3-2-4-11(13)7-10/h2-7,14H,8-9H2,1H3
InChIKey
ICYUCEGRRRQULN-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0371 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.04438 160.7
[M+Na]+ 302.02632 164.3
[M+NH4]+ 297.07092 165.2
[M+K]+ 318.00026 164.2
[M-H]- 278.02982 162.6
[M+Na-2H]- 300.01177 165.1
[M]+ 279.03655 160.5
[M]- 279.03765 160.5
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.

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No patent data available for this compound.