CID 205106

17364-41-9

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=NN(C(=O)C1C=O)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2O2/c1-8-10(7-14)11(15)13(12-8)9-5-3-2-4-6-9/h2-7,10H,1H3
InChIKey
RGDIXYRCPLMSGT-UHFFFAOYSA-N
Compound name
3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

202.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 141.5
[M+Na]+ 225.063448 151.7
[M-H]- 201.066954 146.3
[M+NH4]+ 220.108053 160.0
[M+K]+ 241.037388 148.5
[M+H-H2O]+ 185.071490 133.9
[M+HCOO]- 247.072431 164.5
[M+CH3COO]- 261.088081 184.4
[M+Na-2H]- 223.048896 145.5
[M]+ 202.07368142 142.6
[M]- 202.07477858 142.6
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