CID 65403

Dimethyl pimelimidate

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

COC(=N)CCCCCC(=N)OC

InChI

InChI=1S/C9H18N2O2/c1-12-8(10)6-4-3-5-7-9(11)13-2/h10-11H,3-7H2,1-2H3

InChIKey

LRPQMNYCTSPGCX-UHFFFAOYSA-N

Compound name

dimethyl heptanediimidate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 55
References: 6418
Patents: 186.13683 Da
Monoisotopic Mass: 1.3
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]+	187.144106	145.3
[M+Na]+	209.126048	149.7
[M-H]-	185.129554	145.1
[M+NH4]+	204.170653	164.4
[M+K]+	225.099988	149.3
[M+H-H2O]+	169.134090	139.3
[M+HCOO]-	231.135031	169.0
[M+CH3COO]-	245.150681	188.5
[M+Na-2H]-	207.111496	148.6
[M]+	186.13628142	146.0
[M]-	186.13737858	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe