CID 62680009

1-(2-bromophenyl)-5-methyl-1h-pyrazol-3-amine hydrochloride

Structural Information

Molecular Formula
C10H10BrN3
SMILES
CC1=CC(=NN1C2=CC=CC=C2Br)N
InChI
InChI=1S/C10H10BrN3/c1-7-6-10(12)13-14(7)9-5-3-2-4-8(9)11/h2-6H,1H3,(H2,12,13)
InChIKey
HUNWMZXFZGFBCO-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.00581 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.013086 146.6
[M+Na]+ 273.995028 159.8
[M-H]- 249.998534 153.8
[M+NH4]+ 269.039633 166.6
[M+K]+ 289.968968 147.7
[M+H-H2O]+ 234.003070 145.0
[M+HCOO]- 296.004011 168.5
[M+CH3COO]- 310.019661 161.7
[M+Na-2H]- 271.980476 152.5
[M]+ 251.00526142 164.3
[M]- 251.00635858 164.3
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.