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]+ 203.08151 141.9
[M+Na]+ 225.06345 151.4
[M-H]- 201.06695 145.3
[M+NH4]+ 220.10805 159.5
[M+K]+ 241.03739 147.7
[M+H-H2O]+ 185.07149 134.1
[M+HCOO]- 247.07243 164.6
[M+CH3COO]- 261.08808 181.2
[M+Na-2H]- 223.04890 147.1
[M]+ 202.07368 142.8
[M]- 202.07478 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.