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

7288
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 118.2
[M+Na]+ 134.02125 126.3
[M-H]- 110.02475 120.4
[M+NH4]+ 129.06585 141.3
[M+K]+ 149.99519 126.6
[M+H-H2O]+ 94.029290 113.6
[M+HCOO]- 156.03023 144.2
[M+CH3COO]- 170.04588 172.1
[M+Na-2H]- 132.00670 124.2
[M]+ 111.03148 118.9
[M]- 111.03258 118.9
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