CID 73107

Diethyl malonimidate dihydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

CCOC(=N)CC(=N)OCC

InChI

InChI=1S/C7H14N2O2/c1-3-10-6(8)5-7(9)11-4-2/h8-9H,3-5H2,1-2H3

InChIKey

RZVGUUMNWCDIBV-UHFFFAOYSA-N

Compound name

diethyl propanediimidate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 291
Patents: 158.10553 Da
Monoisotopic Mass: 1.0
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]+	159.11281	136.1
[M+Na]+	181.09475	141.4
[M-H]-	157.09825	136.3
[M+NH4]+	176.13935	156.4
[M+K]+	197.06869	141.5
[M+H-H2O]+	141.10279	130.5
[M+HCOO]-	203.10373	160.5
[M+CH3COO]-	217.11938	182.4
[M+Na-2H]-	179.08020	140.5
[M]+	158.10498	136.1
[M]-	158.10608	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe