CID 63109870

2-(1-isocyanatoethyl)oxolane

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CC(C1CCCO1)N=C=O

InChI

InChI=1S/C7H11NO2/c1-6(8-5-9)7-3-2-4-10-7/h6-7H,2-4H2,1H3

InChIKey

RLLNYNXMMOYCHV-UHFFFAOYSA-N

Compound name

2-(1-isocyanatoethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 141.07898 Da
Monoisotopic Mass: 1.8
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]+	142.08626	130.5
[M+Na]+	164.06820	139.4
[M+NH4]+	159.11280	138.5
[M+K]+	180.04214	136.4
[M-H]-	140.07170	132.9
[M+Na-2H]-	162.05365	134.2
[M]+	141.07843	132.1
[M]-	141.07953	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.