CID 16228125

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

Structural Information

Molecular Formula
C10H10BrN3
SMILES
CC1=NN(C(=C1)N)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H10BrN3/c1-7-5-10(12)14(13-7)9-4-2-3-8(11)6-9/h2-6H,12H2,1H3
InChIKey
ZNIAENRPUGQHOI-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

251.00581 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01309 146.6
[M+Na]+ 273.99503 159.8
[M-H]- 249.99853 153.8
[M+NH4]+ 269.03963 166.6
[M+K]+ 289.96897 147.7
[M+H-H2O]+ 234.00307 145.0
[M+HCOO]- 296.00401 168.5
[M+CH3COO]- 310.01966 161.7
[M+Na-2H]- 271.98048 152.5
[M]+ 251.00526 164.3
[M]- 251.00636 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

patents stripe