CID 708263

436086-91-8

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1=CC(=NN1CC2=C(C=CC(=C2)C=O)OC)C
InChI
InChI=1S/C14H16N2O2/c1-10-6-11(2)16(15-10)8-13-7-12(9-17)4-5-14(13)18-3/h4-7,9H,8H2,1-3H3
InChIKey
XEUFDSHRBLJIJK-UHFFFAOYSA-N
Compound name
3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 154.6
[M+Na]+ 267.11041 165.1
[M-H]- 243.11391 159.6
[M+NH4]+ 262.15501 171.8
[M+K]+ 283.08435 161.5
[M+H-H2O]+ 227.11845 146.6
[M+HCOO]- 289.11939 177.8
[M+CH3COO]- 303.13504 195.1
[M+Na-2H]- 265.09586 157.2
[M]+ 244.12064 159.2
[M]- 244.12174 159.2
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.