CID 25247758

1-cyclopentyl-1h-pyrazole-4-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

164.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 134.9
[M+Na]+ 187.08418 142.6
[M-H]- 163.08768 138.9
[M+NH4]+ 182.12878 156.1
[M+K]+ 203.05812 140.9
[M+H-H2O]+ 147.09222 127.4
[M+HCOO]- 209.09316 157.4
[M+CH3COO]- 223.10881 175.8
[M+Na-2H]- 185.06963 137.6
[M]+ 164.09441 133.1
[M]- 164.09551 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

patents stripe