CID 78196

4452-32-8

Structural Information

Molecular Formula

C₁₀H₁₉O₄P

SMILES

CCOP(=O)(OCC)OC1=CCCCC1

InChI

InChI=1S/C10H19O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3

InChIKey

HSZLFXQMARYHGS-UHFFFAOYSA-N

Compound name

cyclohexen-1-yl diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.1021 Da
Monoisotopic Mass: 2.1
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]+	235.10938	154.1
[M+Na]+	257.09132	158.9
[M-H]-	233.09482	155.6
[M+NH4]+	252.13592	172.2
[M+K]+	273.06526	159.0
[M+H-H2O]+	217.09936	145.8
[M+HCOO]-	279.10030	180.0
[M+CH3COO]-	293.11595	189.7
[M+Na-2H]-	255.07677	156.9
[M]+	234.10155	157.6
[M]-	234.10265	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe