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 154.8
[M+Na]+ 302.02632 166.2
[M-H]- 278.02982 161.7
[M+NH4]+ 297.07092 173.6
[M+K]+ 318.00026 154.1
[M+H-H2O]+ 262.03436 152.6
[M+HCOO]- 324.03530 176.6
[M+CH3COO]- 338.05095 197.8
[M+Na-2H]- 300.01177 161.3
[M]+ 279.03655 173.7
[M]- 279.03765 173.7
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.