CID 12228

Methyl isocyanate

Structural Information

Molecular Formula
C2H3NO
SMILES
CN=C=O
InChI
InChI=1S/C2H3NO/c1-3-2-4/h1H3
InChIKey
HAMGRBXTJNITHG-UHFFFAOYSA-N
Compound name
methylimino(oxo)methane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

378
References

25060
Patents

57.021465 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 58.028741 105.7
[M+Na]+ 80.010683 117.0
[M+NH4]+ 75.055288 114.5
[M+K]+ 95.984623 111.4
[M-H]- 56.014189 106.3
[M+Na-2H]- 77.996131 111.5
[M]+ 57.020916 107.2
[M]- 57.022014 107.2
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