CID 169625

34712-64-6

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CN(C)C(=O)CCCCCC(=O)N(C)C

InChI

InChI=1S/C11H22N2O2/c1-12(2)10(14)8-6-5-7-9-11(15)13(3)4/h5-9H2,1-4H3

InChIKey

ASHMSZXXFLPXSY-UHFFFAOYSA-N

Compound name

N,N,N',N'-tetramethylheptanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 214.16812 Da
Monoisotopic Mass: 0.3
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]+	215.17540	154.4
[M+Na]+	237.15734	158.4
[M-H]-	213.16084	156.9
[M+NH4]+	232.20194	173.8
[M+K]+	253.13128	160.3
[M+H-H2O]+	197.16538	147.8
[M+HCOO]-	259.16632	178.5
[M+CH3COO]-	273.18197	201.6
[M+Na-2H]-	235.14279	155.2
[M]+	214.16757	158.5
[M]-	214.16867	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe