CID 45923682

3-cyclopropyl-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CC1C2=CC(=NN2)C=O
InChI
InChI=1S/C7H8N2O/c10-4-6-3-7(9-8-6)5-1-2-5/h3-5H,1-2H2,(H,8,9)
InChIKey
OCFFEKPDYIAVOV-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1H-pyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

136.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 130.6
[M+Na]+ 159.05288 143.5
[M+NH4]+ 154.09748 138.9
[M+K]+ 175.02682 140.8
[M-H]- 135.05638 138.4
[M+Na-2H]- 157.03833 139.1
[M]+ 136.06311 135.5
[M]- 136.06421 135.5
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