CID 687977

60484-29-9

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=O
InChI
InChI=1S/C11H10N2O2/c1-8-10(7-14)11(15)13(12-8)9-5-3-2-4-6-9/h2-7,12H,1H3
InChIKey
RWBBDSAYSNJJHM-UHFFFAOYSA-N
Compound name
5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

182
Patents

202.07423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 143.2
[M+Na]+ 225.06345 157.0
[M+NH4]+ 220.10805 150.3
[M+K]+ 241.03739 152.5
[M-H]- 201.06695 144.9
[M+Na-2H]- 223.04890 150.4
[M]+ 202.07368 145.5
[M]- 202.07478 145.5
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