CID 39869082

1152502-99-2

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC(C)C1=NN(C=C1C=O)C
InChI
InChI=1S/C8H12N2O/c1-6(2)8-7(5-11)4-10(3)9-8/h4-6H,1-3H3
InChIKey
KQWIBEKKNWQHJU-UHFFFAOYSA-N
Compound name
1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

152.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 131.3
[M+Na]+ 175.084178 141.0
[M-H]- 151.087684 132.8
[M+NH4]+ 170.128783 152.1
[M+K]+ 191.058118 139.8
[M+H-H2O]+ 135.092220 124.8
[M+HCOO]- 197.093161 153.7
[M+CH3COO]- 211.108811 178.0
[M+Na-2H]- 173.069626 135.0
[M]+ 152.09441142 133.5
[M]- 152.09550858 133.5
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