CID 43789505

1-[4-methoxy-3-(1h-pyrazol-1-ylmethyl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC(=O)C1=CC(=C(C=C1)OC)CN2C=CC=N2
InChI
InChI=1S/C13H14N2O2/c1-10(16)11-4-5-13(17-2)12(8-11)9-15-7-3-6-14-15/h3-8H,9H2,1-2H3
InChIKey
HCJKTUBHEGVTAX-UHFFFAOYSA-N
Compound name
1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 150.7
[M+Na]+ 253.094748 159.4
[M-H]- 229.098254 155.2
[M+NH4]+ 248.139353 167.8
[M+K]+ 269.068688 156.7
[M+H-H2O]+ 213.102790 142.4
[M+HCOO]- 275.103731 173.2
[M+CH3COO]- 289.119381 190.6
[M+Na-2H]- 251.080196 154.1
[M]+ 230.10498142 153.5
[M]- 230.10607858 153.5
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.