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

0
Patents

242.04185 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04913 149.2
[M+Na]+ 265.03107 158.7
[M-H]- 241.03457 155.1
[M+NH4]+ 260.07567 169.4
[M+K]+ 281.00501 148.1
[M+H-H2O]+ 225.03911 147.9
[M+HCOO]- 287.04005 166.7
[M+CH3COO]- 301.05570 162.8
[M+Na-2H]- 263.01652 154.0
[M]+ 242.04130 163.8
[M]- 242.04240 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

No patent data available for this compound.