CID 84651886

1782903-15-4

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CC(=O)C1=NN(C(=C1)C2CC2)C

InChI

InChI=1S/C9H12N2O/c1-6(12)8-5-9(7-3-4-7)11(2)10-8/h5,7H,3-4H2,1-2H3

InChIKey

MMASJHCQFADYJE-UHFFFAOYSA-N

Compound name

1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 164.09496 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.10224	139.1
[M+Na]+	187.08418	150.2
[M-H]-	163.08768	144.5
[M+NH4]+	182.12878	154.3
[M+K]+	203.05812	146.8
[M+H-H2O]+	147.09222	131.7
[M+HCOO]-	209.09316	161.4
[M+CH3COO]-	223.10881	182.9
[M+Na-2H]-	185.06963	142.2
[M]+	164.09441	142.5
[M]-	164.09551	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe