CID 20254109

1-isocyanato-2-(2-methoxyethoxy)ethane

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

COCCOCCN=C=O

InChI

InChI=1S/C6H11NO3/c1-9-4-5-10-3-2-7-6-8/h2-5H2,1H3

InChIKey

YUXNGTNNESSITC-UHFFFAOYSA-N

Compound name

1-isocyanato-2-(2-methoxyethoxy)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 145.0739 Da
Monoisotopic Mass: 0.7
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]+	146.081176	127.7
[M+Na]+	168.063118	135.1
[M-H]-	144.066624	129.4
[M+NH4]+	163.107723	149.6
[M+K]+	184.037058	135.9
[M+H-H2O]+	128.071160	122.3
[M+HCOO]-	190.072101	155.2
[M+CH3COO]-	204.087751	178.2
[M+Na-2H]-	166.048566	135.7
[M]+	145.07335142	133.0
[M]-	145.07444858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe