CID 3055117

72039-16-8

Structural Information

Molecular Formula

C₁₀H₁₇N₂O₄PS

SMILES

CCOP(=S)(OC1=CC(=O)N(N=C1)C)OC(C)C

InChI

InChI=1S/C10H17N2O4PS/c1-5-14-17(18,15-8(2)3)16-9-6-10(13)12(4)11-7-9/h6-8H,5H2,1-4H3

InChIKey

AWHQQQNMQNXHBP-UHFFFAOYSA-N

Compound name

5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-2-methylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.06467 Da
Monoisotopic Mass: 2.0
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]+	293.071946	161.2
[M+Na]+	315.053888	169.4
[M-H]-	291.057394	161.5
[M+NH4]+	310.098493	175.4
[M+K]+	331.027828	167.9
[M+H-H2O]+	275.061930	151.5
[M+HCOO]-	337.062871	181.8
[M+CH3COO]-	351.078521	200.4
[M+Na-2H]-	313.039336	160.9
[M]+	292.06412142	169.4
[M]-	292.06521858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.