CID 162345096

Ns00133327

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CN1C(=CC(=O)N1C2=CC=CC=C2O)C=O
InChI
InChI=1S/C11H10N2O3/c1-12-8(7-14)6-11(16)13(12)9-4-2-3-5-10(9)15/h2-7,15H,1H3
InChIKey
DHAXBIIOGPIPQX-UHFFFAOYSA-N
Compound name
1-(2-hydroxyphenyl)-2-methyl-5-oxopyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 143.8
[M+Na]+ 241.058358 155.3
[M-H]- 217.061864 148.0
[M+NH4]+ 236.102963 161.3
[M+K]+ 257.032298 151.6
[M+H-H2O]+ 201.066400 136.5
[M+HCOO]- 263.067341 166.8
[M+CH3COO]- 277.082991 185.0
[M+Na-2H]- 239.043806 147.6
[M]+ 218.06859142 146.3
[M]- 218.06968858 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.