CID 10774442

5-amino-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC1=NN(C(=C1C=O)N)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,12H2,1H3
InChIKey
USUZLTADOLMXDK-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

201.09021 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 142.7
[M+Na]+ 224.079428 152.9
[M-H]- 200.082934 147.4
[M+NH4]+ 219.124033 160.9
[M+K]+ 240.053368 149.0
[M+H-H2O]+ 184.087470 134.8
[M+HCOO]- 246.088411 167.2
[M+CH3COO]- 260.104061 187.1
[M+Na-2H]- 222.064876 147.2
[M]+ 201.08966142 142.8
[M]- 201.09075858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.