CID 15986

Carbamic acid, (2-phenyl-m-dioxan-5-ylidene)dimethylene ester

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₆

SMILES

C1C(COC(O1)C2=CC=CC=C2)(COC(=O)N)COC(=O)N

InChI

InChI=1S/C14H18N2O6/c15-12(17)21-8-14(9-22-13(16)18)6-19-11(20-7-14)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,17)(H2,16,18)

InChIKey

YXHIAHROUOFDJE-UHFFFAOYSA-N

Compound name

[5-(carbamoyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.1165 Da
Monoisotopic Mass: 0.1
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]+	311.123776	171.0
[M+Na]+	333.105718	174.4
[M-H]-	309.109224	177.1
[M+NH4]+	328.150323	182.9
[M+K]+	349.079658	176.1
[M+H-H2O]+	293.113760	163.0
[M+HCOO]-	355.114701	189.5
[M+CH3COO]-	369.130351	205.1
[M+Na-2H]-	331.091166	174.9
[M]+	310.11595142	170.3
[M]-	310.11704858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.