CID 70371

950-81-2

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=O
InChI
InChI=1S/C12H12N2O2/c1-9-11(8-15)12(16)14(13(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey
QFYZFYDOEJZMDX-UHFFFAOYSA-N
Compound name
1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

470
Patents

216.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 147.0
[M+Na]+ 239.07909 161.5
[M+NH4]+ 234.12369 154.3
[M+K]+ 255.05303 156.7
[M-H]- 215.08259 149.3
[M+Na-2H]- 237.06454 154.3
[M]+ 216.08932 149.6
[M]- 216.09042 149.6
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

patents stripe