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

1
Annotation Hits: 55
References: 5534
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]+	187.14411	145.0
[M+Na]+	209.12605	151.8
[M+NH4]+	204.17065	150.8
[M+K]+	225.09999	147.4
[M-H]-	185.12955	143.9
[M+Na-2H]-	207.11150	146.7
[M]+	186.13628	145.0
[M]-	186.13738	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe