CID 34750

Dimethyl suberimidate

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

COC(=N)CCCCCCC(=N)OC

InChI

InChI=1S/C10H20N2O2/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h11-12H,3-8H2,1-2H3

InChIKey

FRTGEIHSCHXMTI-UHFFFAOYSA-N

Compound name

dimethyl octanediimidate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 335
References: 7842
Patents: 200.15248 Da
Monoisotopic Mass: 1.8
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]+	201.15976	149.9
[M+Na]+	223.14170	153.9
[M-H]-	199.14520	149.5
[M+NH4]+	218.18630	168.4
[M+K]+	239.11564	153.2
[M+H-H2O]+	183.14974	143.6
[M+HCOO]-	245.15068	173.2
[M+CH3COO]-	259.16633	191.5
[M+Na-2H]-	221.12715	152.6
[M]+	200.15193	151.0
[M]-	200.15303	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe