CID 61271623

1-cyclohexyl-3-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC1=NN(C=C1C=O)C2CCCCC2
InChI
InChI=1S/C11H16N2O/c1-9-10(8-14)7-13(12-9)11-5-3-2-4-6-11/h7-8,11H,2-6H2,1H3
InChIKey
HNYXYMLYJOXRKP-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 144.7
[M+Na]+ 215.11549 156.4
[M+NH4]+ 210.16009 152.9
[M+K]+ 231.08943 151.5
[M-H]- 191.11899 147.1
[M+Na-2H]- 213.10094 150.6
[M]+ 192.12572 146.8
[M]- 192.12682 146.8
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.