CID 62609

Methoxymethyl isocyanate

Structural Information

Molecular Formula
C3H5NO2
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
4
Annotation Hits

0
References

265
Patents

87.03203 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.039306 113.2
[M+Na]+ 110.02125 123.8
[M+NH4]+ 105.06585 121.2
[M+K]+ 125.99519 118.5
[M-H]- 86.024754 113.2
[M+Na-2H]- 108.00670 118.3
[M]+ 87.031481 114.4
[M]- 87.032579 114.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe