CID 645025

42329-05-5

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC1=CC(=NN1C(=O)C2=CC=NC=C2)C
InChI
InChI=1S/C11H11N3O/c1-8-7-9(2)14(13-8)11(15)10-3-5-12-6-4-10/h3-7H,1-2H3
InChIKey
VXESXFNPRURVHH-UHFFFAOYSA-N
Compound name
(3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

201.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 143.2
[M+Na]+ 224.07943 153.1
[M-H]- 200.08293 146.7
[M+NH4]+ 219.12403 160.3
[M+K]+ 240.05337 150.1
[M+H-H2O]+ 184.08747 134.6
[M+HCOO]- 246.08841 164.9
[M+CH3COO]- 260.10406 184.8
[M+Na-2H]- 222.06488 147.6
[M]+ 201.08966 144.4
[M]- 201.09076 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.