CID 83862943

2-methyl-2h,4h,5h,6h-cyclopenta[c]pyrazole-3-carbaldehyde

Structural Information

Molecular Formula
C8H10N2O
SMILES
CN1C(=C2CCCC2=N1)C=O
InChI
InChI=1S/C8H10N2O/c1-10-8(5-11)6-3-2-4-7(6)9-10/h5H,2-4H2,1H3
InChIKey
FKEXIEJTCIPBAX-UHFFFAOYSA-N
Compound name
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.07932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 130.6
[M+Na]+ 173.06854 140.8
[M-H]- 149.07204 133.0
[M+NH4]+ 168.11314 154.1
[M+K]+ 189.04248 139.0
[M+H-H2O]+ 133.07658 124.5
[M+HCOO]- 195.07752 153.2
[M+CH3COO]- 209.09317 175.3
[M+Na-2H]- 171.05399 134.7
[M]+ 150.07877 131.6
[M]- 150.07987 131.6
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.