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]+ 179.11789 139.2
[M+Na]+ 201.09983 147.3
[M-H]- 177.10333 143.4
[M+NH4]+ 196.14443 160.2
[M+K]+ 217.07377 145.4
[M+H-H2O]+ 161.10787 131.8
[M+HCOO]- 223.10881 161.4
[M+CH3COO]- 237.12446 179.8
[M+Na-2H]- 199.08528 140.7
[M]+ 178.11006 138.1
[M]- 178.11116 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.