CID 81761443

1-cyclopentyl-1h-pyrazole-3-carbaldehyde

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1CCC(C1)N2C=CC(=N2)C=O
InChI
InChI=1S/C9H12N2O/c12-7-8-5-6-11(10-8)9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKey
AYTYPXNBKQOEFR-UHFFFAOYSA-N
Compound name
1-cyclopentylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.9
[M+Na]+ 187.084178 142.6
[M-H]- 163.087684 138.9
[M+NH4]+ 182.128783 156.1
[M+K]+ 203.058118 140.9
[M+H-H2O]+ 147.092220 127.4
[M+HCOO]- 209.093161 157.4
[M+CH3COO]- 223.108811 175.8
[M+Na-2H]- 185.069626 137.6
[M]+ 164.09441142 133.1
[M]- 164.09550858 133.1
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.