CID 6483841

3-(3-methoxyphenyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C11H10N2O2
SMILES
COC1=CC=CC(=C1)C2=C(C=NN2)C=O
InChI
InChI=1S/C11H10N2O2/c1-15-10-4-2-3-8(5-10)11-9(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)
InChIKey
MQLANCBGBSRAKS-UHFFFAOYSA-N
Compound name
5-(3-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 141.9
[M+Na]+ 225.063448 151.4
[M-H]- 201.066954 145.3
[M+NH4]+ 220.108053 159.5
[M+K]+ 241.037388 147.7
[M+H-H2O]+ 185.071490 134.1
[M+HCOO]- 247.072431 164.6
[M+CH3COO]- 261.088081 181.2
[M+Na-2H]- 223.048896 147.1
[M]+ 202.07368142 142.8
[M]- 202.07477858 142.8
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.