CID 25619

Bis(2-isocyanatoethyl) carbonate

Structural Information

Molecular Formula

C₇H₈N₂O₅

SMILES

C(COC(=O)OCCN=C=O)N=C=O

InChI

InChI=1S/C7H8N2O5/c10-5-8-1-3-13-7(12)14-4-2-9-6-11/h1-4H2

InChIKey

DZYFUUQMKQBVBY-UHFFFAOYSA-N

Compound name

bis(2-isocyanatoethyl) carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4070
Patents: 200.04332 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]+	201.05060	141.6
[M+Na]+	223.03254	149.0
[M+NH4]+	218.07714	146.1
[M+K]+	239.00648	145.0
[M-H]-	199.03604	139.5
[M+Na-2H]-	221.01799	143.7
[M]+	200.04277	141.3
[M]-	200.04387	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe