CID 10942374

Methacryloyl isocyanate

Structural Information

Molecular Formula
C5H5NO2
SMILES
CC(=C)C(=O)N=C=O
InChI
InChI=1S/C5H5NO2/c1-4(2)5(8)6-3-7/h1H2,2H3
InChIKey
JEHFRMABGJJCPF-UHFFFAOYSA-N
Compound name
2-methylprop-2-enoyl isocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6231
Patents

111.03203 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 121.6
[M+Na]+ 134.02125 131.2
[M+NH4]+ 129.06585 128.5
[M+K]+ 149.99519 126.8
[M-H]- 110.02475 120.6
[M+Na-2H]- 132.00670 125.1
[M]+ 111.03148 122.2
[M]- 111.03258 122.2
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