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

14
Patents

178.11061 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.2
[M+Na]+ 201.09983 145.6
[M-H]- 177.10333 142.5
[M+NH4]+ 196.14443 158.0
[M+K]+ 217.07377 143.2
[M+H-H2O]+ 161.10787 131.0
[M+HCOO]- 223.10881 159.1
[M+CH3COO]- 237.12446 178.6
[M+Na-2H]- 199.08528 142.9
[M]+ 178.11006 135.4
[M]- 178.11116 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