CID 10880

Diethyl ethylenedicarbamate

Structural Information

Molecular Formula

C₈H₁₆N₂O₄

SMILES

CCOC(=O)NCCNC(=O)OCC

InChI

InChI=1S/C8H16N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)

InChIKey

SDNZFSXPFLVPMI-UHFFFAOYSA-N

Compound name

ethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 204.11101 Da
Monoisotopic Mass: 0.4
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]+	205.11829	146.4
[M+Na]+	227.10023	152.5
[M+NH4]+	222.14483	151.3
[M+K]+	243.07417	149.4
[M-H]-	203.10373	144.3
[M+Na-2H]-	225.08568	147.4
[M]+	204.11046	145.9
[M]-	204.11156	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe