CID 46739498

4-bromo-1-(cyclohexylmethyl)pyrazole

Structural Information

Molecular Formula
C10H15BrN2
SMILES
C1CCC(CC1)CN2C=C(C=N2)Br
InChI
InChI=1S/C10H15BrN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
InChIKey
IESGDCLQIZINEU-UHFFFAOYSA-N
Compound name
4-bromo-1-(cyclohexylmethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.04185 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.049126 149.2
[M+Na]+ 265.031068 158.7
[M-H]- 241.034574 155.1
[M+NH4]+ 260.075673 169.4
[M+K]+ 281.005008 148.1
[M+H-H2O]+ 225.039110 147.9
[M+HCOO]- 287.040051 166.7
[M+CH3COO]- 301.055701 162.8
[M+Na-2H]- 263.016516 154.0
[M]+ 242.04130142 163.8
[M]- 242.04239858 163.8
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