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

187
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 141.1
[M+Na]+ 225.06345 151.9
[M-H]- 201.06695 145.0
[M+NH4]+ 220.10805 159.1
[M+K]+ 241.03739 147.6
[M+H-H2O]+ 185.07149 133.8
[M+HCOO]- 247.07243 164.0
[M+CH3COO]- 261.08808 181.6
[M+Na-2H]- 223.04890 145.6
[M]+ 202.07368 141.8
[M]- 202.07478 141.8
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

patents stripe