CID 11646

Isocyanomethane

Structural Information

Molecular Formula

SMILES

C[N+]#[C-]

InChI

InChI=1S/C2H3N/c1-3-2/h1H3

InChIKey

ZRKSVHFXTRFQFL-UHFFFAOYSA-N

Compound name

isocyanomethane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 39
References: 3674
Patents: 41.02655 Da
Monoisotopic Mass: 0.0
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]+	42.033826	105.8
[M+Na]+	64.015768	116.2
[M-H]-	40.019274	106.2
[M+NH4]+	59.060373	128.3
[M+K]+	79.989708	111.9
[M+H-H2O]+	24.023810	100.7
[M+HCOO]-	86.024751	126.6
[M+CH3COO]-	100.04040	163.4
[M+Na-2H]-	62.001216	115.4
[M]+	41.026001	97.8
[M]-	41.027099	97.8

Literature stripe

literature stripe

Patent stripe

patents stripe