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

9
Annotation Hits: 52
References: 16963
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]+	282.092326	164.4
[M+Na]+	304.074268	168.5
[M-H]-	280.077774	163.0
[M+NH4]+	299.118873	180.9
[M+K]+	320.048208	167.9
[M+H-H2O]+	264.082310	156.1
[M+HCOO]-	326.083251	184.8
[M+CH3COO]-	340.098901	201.4
[M+Na-2H]-	302.059716	161.1
[M]+	281.08450142	170.8
[M]-	281.08559858	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe