CID 77094

Vinyl isocyanate

Structural Information

Molecular Formula

SMILES

C=CN=C=O

InChI

InChI=1S/C3H3NO/c1-2-4-3-5/h2H,1H2

InChIKey

WARQUFORVQESFF-UHFFFAOYSA-N

Compound name

isocyanatoethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5320
Patents: 69.02146 Da
Monoisotopic Mass: 1.7
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]+	70.028736	106.5
[M+Na]+	92.010678	115.5
[M-H]-	68.014184	108.9
[M+NH4]+	87.055283	131.5
[M+K]+	107.98462	115.8
[M+H-H2O]+	52.018720	102.4
[M+HCOO]-	114.01966	134.7
[M+CH3COO]-	128.03531	164.0
[M+Na-2H]-	89.996126	116.2
[M]+	69.020911	107.1
[M]-	69.022009	107.1

Literature stripe

literature stripe

Patent stripe

patents stripe