CID 5371560

Dicrotophos

Structural Information

Molecular Formula

C₈H₁₆NO₅P

SMILES

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

InChI

InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+

InChIKey

VEENJGZXVHKXNB-VOTSOKGWSA-N

Compound name

[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 51
References: 23414
Patents: 237.07661 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]+	238.08389	151.2
[M+Na]+	260.06583	157.2
[M-H]-	236.06933	151.8
[M+NH4]+	255.11043	169.9
[M+K]+	276.03977	159.7
[M+H-H2O]+	220.07387	143.7
[M+HCOO]-	282.07481	179.4
[M+CH3COO]-	296.09046	196.4
[M+Na-2H]-	258.05128	152.2
[M]+	237.07606	158.7
[M]-	237.07716	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe