CID 3822076

(7-aminoheptyl)dimethylamine

Structural Information

Molecular Formula

C₉H₂₂N₂

SMILES

CN(C)CCCCCCCN

InChI

InChI=1S/C9H22N2/c1-11(2)9-7-5-3-4-6-8-10/h3-10H2,1-2H3

InChIKey

OXAUQAUWLUANLY-UHFFFAOYSA-N

Compound name

N',N'-dimethylheptane-1,7-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
Patents: 158.1783 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]+	159.185576	141.2
[M+Na]+	181.167518	145.6
[M-H]-	157.171024	141.8
[M+NH4]+	176.212123	162.1
[M+K]+	197.141458	145.6
[M+H-H2O]+	141.175560	135.2
[M+HCOO]-	203.176501	165.9
[M+CH3COO]-	217.192151	188.8
[M+Na-2H]-	179.152966	145.2
[M]+	158.17775142	142.2
[M]-	158.17884858	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe