CID 4123933

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

Structural Information

Molecular Formula
C11H10N2O2
SMILES
COC1=CC=C(C=C1)N2C=C(C=N2)C=O
InChI
InChI=1S/C11H10N2O2/c1-15-11-4-2-10(3-5-11)13-7-9(8-14)6-12-13/h2-8H,1H3
InChIKey
NRVPYMGFCLDQLB-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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 141.2
[M+Na]+ 225.063448 151.2
[M-H]- 201.066954 146.0
[M+NH4]+ 220.108053 159.6
[M+K]+ 241.037388 148.4
[M+H-H2O]+ 185.071490 133.2
[M+HCOO]- 247.072431 165.5
[M+CH3COO]- 261.088081 183.8
[M+Na-2H]- 223.048896 146.9
[M]+ 202.07368142 144.0
[M]- 202.07477858 144.0
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

patents stripe