CID 28808656

1-methyl-1h,4h,5h,6h-cyclopenta[c]pyrazole-3-carbaldehyde

Structural Information

Molecular Formula
C8H10N2O
SMILES
CN1C2=C(CCC2)C(=N1)C=O
InChI
InChI=1S/C8H10N2O/c1-10-8-4-2-3-6(8)7(5-11)9-10/h5H,2-4H2,1H3
InChIKey
FHMALMRUMWFZBJ-UHFFFAOYSA-N
Compound name
1-methyl-5,6-dihydro-4H-cyclopenta[d]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]+ 151.086596 130.6
[M+Na]+ 173.068538 140.8
[M-H]- 149.072044 133.0
[M+NH4]+ 168.113143 154.1
[M+K]+ 189.042478 139.0
[M+H-H2O]+ 133.076580 124.5
[M+HCOO]- 195.077521 153.2
[M+CH3COO]- 209.093171 175.3
[M+Na-2H]- 171.053986 134.7
[M]+ 150.07877142 131.6
[M]- 150.07986858 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.