CID 155972996

(2-isocyanatoethoxy)cyclopropane

Structural Information

Molecular Formula

SMILES

C1CC1OCCN=C=O

InChI

InChI=1S/C6H9NO2/c8-5-7-3-4-9-6-1-2-6/h6H,1-4H2

InChIKey

NNSPKGLATJGIJY-UHFFFAOYSA-N

Compound name

2-isocyanatoethoxycyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 127.06333 Da
Monoisotopic Mass: 1.4
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]+	128.070606	126.3
[M+Na]+	150.052548	135.7
[M-H]-	126.056054	132.4
[M+NH4]+	145.097153	144.0
[M+K]+	166.026488	134.5
[M+H-H2O]+	110.060590	120.2
[M+HCOO]-	172.061531	153.7
[M+CH3COO]-	186.077181	178.1
[M+Na-2H]-	148.037996	134.5
[M]+	127.06278142	131.2
[M]-	127.06387858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.