CID 12228

Methyl isocyanate

Structural Information

Molecular Formula

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: 30157
Patents: 57.021465 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe