CID 61368718

1-cyclopentyl-5-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C15H16N2O
SMILES
C1CCC(C1)N2C(=C(C=N2)C=O)C3=CC=CC=C3
InChI
InChI=1S/C15H16N2O/c18-11-13-10-16-17(14-8-4-5-9-14)15(13)12-6-2-1-3-7-12/h1-3,6-7,10-11,14H,4-5,8-9H2
InChIKey
CUNLMBQOMSRAGD-UHFFFAOYSA-N
Compound name
1-cyclopentyl-5-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 154.7
[M+Na]+ 263.11549 162.0
[M-H]- 239.11899 162.0
[M+NH4]+ 258.16009 172.7
[M+K]+ 279.08943 158.0
[M+H-H2O]+ 223.12353 145.9
[M+HCOO]- 285.12447 176.7
[M+CH3COO]- 299.14012 167.0
[M+Na-2H]- 261.10094 155.6
[M]+ 240.12572 152.9
[M]- 240.12682 152.9
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.