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]+ 244.04439 148.3
[M+Na]+ 266.02633 158.1
[M-H]- 242.02983 154.1
[M+NH4]+ 261.07093 168.0
[M+K]+ 282.00027 146.8
[M+H-H2O]+ 226.03437 146.5
[M+HCOO]- 288.03531 166.4
[M+CH3COO]- 302.05096 161.8
[M+Na-2H]- 264.01178 152.4
[M]+ 243.03656 161.2
[M]- 243.03766 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.