CID 3145403

1-cyclohexyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H14N2O
SMILES
C1CCC(CC1)N2C=C(C=N2)C=O
InChI
InChI=1S/C10H14N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKey
JKBDNPCWBJBVJB-UHFFFAOYSA-N
Compound name
1-cyclohexylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

178.11061 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.117886 139.2
[M+Na]+ 201.099828 145.6
[M-H]- 177.103334 142.5
[M+NH4]+ 196.144433 158.0
[M+K]+ 217.073768 143.2
[M+H-H2O]+ 161.107870 131.0
[M+HCOO]- 223.108811 159.1
[M+CH3COO]- 237.124461 178.6
[M+Na-2H]- 199.085276 142.9
[M]+ 178.11006142 135.4
[M]- 178.11115858 135.4
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