CID 62489162

4-[3-(propan-2-yl)-1h-pyrazol-1-yl]benzaldehyde

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC(C)C1=NN(C=C1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H14N2O/c1-10(2)13-7-8-15(14-13)12-5-3-11(9-16)4-6-12/h3-10H,1-2H3
InChIKey
KNNGMTYDZDERFE-UHFFFAOYSA-N
Compound name
4-(3-propan-2-ylpyrazol-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 148.6
[M+Na]+ 237.09983 162.3
[M+NH4]+ 232.14443 156.5
[M+K]+ 253.07377 157.3
[M-H]- 213.10333 151.3
[M+Na-2H]- 235.08528 156.5
[M]+ 214.11006 151.3
[M]- 214.11116 151.3
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.