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
9
Annotation Hits

379
References

33666
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 103.4
[M+Na]+ 80.010683 112.5
[M-H]- 56.014189 105.9
[M+NH4]+ 75.055288 128.9
[M+K]+ 95.984623 113.7
[M+H-H2O]+ 40.018725 99.4
[M+HCOO]- 102.01967 131.7
[M+CH3COO]- 116.03532 161.9
[M+Na-2H]- 77.996131 113.6
[M]+ 57.020916 104.3
[M]- 57.022014 104.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.