CID 483265

2-[5-methyl-3-(5-methyl-isoxazol-3-yl)-4-nitroso-pyrazol-1-yl]-ethanol

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₃

SMILES

CC1=CC(=NO1)C2=NN(C(=C2N=O)C)CCO

InChI

InChI=1S/C10H12N4O3/c1-6-5-8(13-17-6)10-9(12-16)7(2)14(11-10)3-4-15/h5,15H,3-4H2,1-2H3

InChIKey

AWYDZVQKUQTXIE-UHFFFAOYSA-N

Compound name

2-[5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-4-nitrosopyrazol-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 236.09094 Da
Monoisotopic Mass: -0.2
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]+	237.098216	148.4
[M+Na]+	259.080158	160.3
[M-H]-	235.083664	153.9
[M+NH4]+	254.124763	164.8
[M+K]+	275.054098	159.1
[M+H-H2O]+	219.088200	140.5
[M+HCOO]-	281.089141	174.0
[M+CH3COO]-	295.104791	193.1
[M+Na-2H]-	257.065606	152.6
[M]+	236.09039142	155.6
[M]-	236.09148858	155.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.