CID 5372405

Propetamphos

Structural Information

Molecular Formula

C₁₀H₂₀NO₄PS

SMILES

CCNP(=S)(OC)O/C(=C/C(=O)OC(C)C)/C

InChI

InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+

InChIKey

BZNDWPRGXNILMS-VQHVLOKHSA-N

Compound name

propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 37
References: 15025
Patents: 281.08505 Da
Monoisotopic Mass: 2.8
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]+	282.09233	165.2
[M+Na]+	304.07427	169.9
[M+NH4]+	299.11887	169.3
[M+K]+	320.04821	166.2
[M-H]-	280.07777	161.3
[M+Na-2H]-	302.05972	163.9
[M]+	281.08450	164.6
[M]-	281.08560	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe