CID 9571063

Acetaldazine

Structural Information

Molecular Formula

C₄H₈N₂

SMILES

C/C=N/N=C/C

InChI

InChI=1S/C4H8N2/c1-3-5-6-4-2/h3-4H,1-2H3/b5-3+,6-4+

InChIKey

AYNNMBYJCNKVIJ-GGWOSOGESA-N

Compound name

(E)-N-[(E)-ethylideneamino]ethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 84.06875 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]+	85.076026	113.5
[M+Na]+	107.05797	121.4
[M-H]-	83.061474	117.1
[M+NH4]+	102.10257	138.5
[M+K]+	123.03191	122.5
[M+H-H2O]+	67.066010	108.5
[M+HCOO]-	129.06695	143.4
[M+CH3COO]-	143.08260	173.0
[M+Na-2H]-	105.04342	123.3
[M]+	84.068201	114.8
[M]-	84.069299	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe