CID 62489316

4-(3-cyclopropyl-1h-pyrazol-1-yl)benzaldehyde

Structural Information

Molecular Formula
C13H12N2O
SMILES
C1CC1C2=NN(C=C2)C3=CC=C(C=C3)C=O
InChI
InChI=1S/C13H12N2O/c16-9-10-1-5-12(6-2-10)15-8-7-13(14-15)11-3-4-11/h1-2,5-9,11H,3-4H2
InChIKey
OVBICHJGQTZFGF-UHFFFAOYSA-N
Compound name
4-(3-cyclopropylpyrazol-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 149.4
[M+Na]+ 235.08418 160.3
[M-H]- 211.08768 157.4
[M+NH4]+ 230.12878 162.4
[M+K]+ 251.05812 155.3
[M+H-H2O]+ 195.09222 140.9
[M+HCOO]- 257.09316 173.1
[M+CH3COO]- 271.10881 162.3
[M+Na-2H]- 233.06963 153.8
[M]+ 212.09441 152.2
[M]- 212.09551 152.2
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.