CID 61177536

4-bromo-1-cyclohexyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C9H14BrN3
SMILES
C1CCC(CC1)N2C=C(C(=N2)N)Br
InChI
InChI=1S/C9H14BrN3/c10-8-6-13(12-9(8)11)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12)
InChIKey
AYCFPVHMYBRJLW-UHFFFAOYSA-N
Compound name
4-bromo-1-cyclohexylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.03711 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.044386 148.3
[M+Na]+ 266.026328 158.1
[M-H]- 242.029834 154.1
[M+NH4]+ 261.070933 168.0
[M+K]+ 282.000268 146.8
[M+H-H2O]+ 226.034370 146.5
[M+HCOO]- 288.035311 166.4
[M+CH3COO]- 302.050961 161.8
[M+Na-2H]- 264.011776 152.4
[M]+ 243.03656142 161.2
[M]- 243.03765858 161.2
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.