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

4
Patents

212.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.102236 149.4
[M+Na]+ 235.084178 160.3
[M-H]- 211.087684 157.4
[M+NH4]+ 230.128783 162.4
[M+K]+ 251.058118 155.3
[M+H-H2O]+ 195.092220 140.9
[M+HCOO]- 257.093161 173.1
[M+CH3COO]- 271.108811 162.3
[M+Na-2H]- 233.069626 153.8
[M]+ 212.09441142 152.2
[M]- 212.09550858 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

patents stripe