CID 62609

Methoxymethyl isocyanate

Structural Information

Molecular Formula

SMILES

COCN=C=O

InChI

InChI=1S/C3H5NO2/c1-6-3-4-2-5/h3H2,1H3

InChIKey

HTVHSOYSKFBUGY-UHFFFAOYSA-N

Compound name

isocyanato(methoxy)methane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 487
Patents: 87.03203 Da
Monoisotopic Mass: 0.9
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]+	88.039306	111.0
[M+Na]+	110.021248	119.7
[M-H]-	86.024754	113.3
[M+NH4]+	105.065853	135.3
[M+K]+	125.995188	121.0
[M+H-H2O]+	70.029290	106.5
[M+HCOO]-	132.030231	139.3
[M+CH3COO]-	146.045881	167.0
[M+Na-2H]-	108.006696	120.6
[M]+	87.03148142	113.8
[M]-	87.03257858	113.8

Literature stripe

literature stripe

Patent stripe

patents stripe