CID 50896489

1-cyclopentyl-3-methyl-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC1=NN(C(=C1)C=O)C2CCCC2
InChI
InChI=1S/C10H14N2O/c1-8-6-10(7-13)12(11-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKey
RJQYBLIWLODOJM-UHFFFAOYSA-N
Compound name
2-cyclopentyl-5-methylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.117886 139.2
[M+Na]+ 201.099828 147.3
[M-H]- 177.103334 143.4
[M+NH4]+ 196.144433 160.2
[M+K]+ 217.073768 145.4
[M+H-H2O]+ 161.107870 131.8
[M+HCOO]- 223.108811 161.4
[M+CH3COO]- 237.124461 179.8
[M+Na-2H]- 199.085276 140.7
[M]+ 178.11006142 138.1
[M]- 178.11115858 138.1
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.