CID 1149978

5-methyl-1-propyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C8H12N2O
SMILES
CCCN1C(=C(C=N1)C=O)C
InChI
InChI=1S/C8H12N2O/c1-3-4-10-7(2)8(6-11)5-9-10/h5-6H,3-4H2,1-2H3
InChIKey
AUAXPAUSORRXAT-UHFFFAOYSA-N
Compound name
5-methyl-1-propylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

152.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 132.8
[M+Na]+ 175.08418 144.7
[M+NH4]+ 170.12878 140.3
[M+K]+ 191.05812 140.5
[M-H]- 151.08768 132.9
[M+Na-2H]- 173.06963 137.9
[M]+ 152.09441 134.3
[M]- 152.09551 134.3
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