CID 45770

63977-31-1

Structural Information

Molecular Formula

C₁₂H₂₈N₂

SMILES

CN(C)CCCCCCCCN(C)C

InChI

InChI=1S/C12H28N2/c1-13(2)11-9-7-5-6-8-10-12-14(3)4/h5-12H2,1-4H3

InChIKey

LBKFCUZHPGXDSR-UHFFFAOYSA-N

Compound name

N,N,N',N'-tetramethyloctane-1,8-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 200
Patents: 200.22525 Da
Monoisotopic Mass: 2.8
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]+	201.232526	155.2
[M+Na]+	223.214468	158.6
[M-H]-	199.217974	157.3
[M+NH4]+	218.259073	175.4
[M+K]+	239.188408	159.5
[M+H-H2O]+	183.222510	148.4
[M+HCOO]-	245.223451	180.0
[M+CH3COO]-	259.239101	202.2
[M+Na-2H]-	221.199916	157.8
[M]+	200.22470142	159.7
[M]-	200.22579858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe