CID 160435

Carbodiimide

Structural Information

Molecular Formula

SMILES

C(=N)=N

InChI

InChI=1S/CH2N2/c2-1-3/h2-3H

InChIKey

VPKDCDLSJZCGKE-UHFFFAOYSA-N

Compound name

methanediimine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2174
References: 58553
Patents: 42.021797 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]+	43.029073	101.0
[M+Na]+	65.011015	109.1
[M-H]-	41.014521	102.1
[M+NH4]+	60.055620	125.9
[M+K]+	80.984955	108.9
[M+H-H2O]+	25.019057	96.9
[M+HCOO]-	87.019998	128.7
[M+CH3COO]-	101.03565	159.6
[M+Na-2H]-	62.996463	111.2
[M]+	42.021248	97.3
[M]-	42.022346	97.3

Literature stripe

literature stripe

Patent stripe

patents stripe