CID 6438039

Methocrotophos

Structural Information

Molecular Formula

C₈H₁₆NO₆P

SMILES

C/C(=C\C(=O)N(C)OC)/OP(=O)(OC)OC

InChI

InChI=1S/C8H16NO6P/c1-7(6-8(10)9(2)12-3)15-16(11,13-4)14-5/h6H,1-5H3/b7-6+

InChIKey

WEDGYOKZJHBCGP-VOTSOKGWSA-N

Compound name

[(E)-4-[methoxy(methyl)amino]-4-oxobut-2-en-2-yl] dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4514
Patents: 253.07152 Da
Monoisotopic Mass: 0.0
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]+	254.07880	153.1
[M+Na]+	276.06074	159.0
[M-H]-	252.06424	153.7
[M+NH4]+	271.10534	171.0
[M+K]+	292.03468	162.1
[M+H-H2O]+	236.06878	145.4
[M+HCOO]-	298.06972	181.5
[M+CH3COO]-	312.08537	198.5
[M+Na-2H]-	274.04619	154.4
[M]+	253.07097	162.0
[M]-	253.07207	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe