CID 43141320

1152508-93-4

Structural Information

Molecular Formula
C14H16N2O
SMILES
CC(C)C1=NN(C=C1C=O)CC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O/c1-11(2)14-13(10-17)9-16(15-14)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3
InChIKey
TVOPJLFPJSKMMZ-UHFFFAOYSA-N
Compound name
1-benzyl-3-propan-2-ylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 152.2
[M+Na]+ 251.11549 160.6
[M-H]- 227.11899 156.5
[M+NH4]+ 246.16009 169.5
[M+K]+ 267.08943 157.1
[M+H-H2O]+ 211.12353 143.9
[M+HCOO]- 273.12447 174.2
[M+CH3COO]- 287.14012 191.5
[M+Na-2H]- 249.10094 155.1
[M]+ 228.12572 154.0
[M]- 228.12682 154.0
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

No patent data available for this compound.