CID 144018

63737-71-3

Structural Information

Molecular Formula

C₉H₂₂N₂

SMILES

CC(C)NCCCNC(C)C

InChI

InChI=1S/C9H22N2/c1-8(2)10-6-5-7-11-9(3)4/h8-11H,5-7H2,1-4H3

InChIKey

OAVPQXXPJZPXTA-UHFFFAOYSA-N

Compound name

N,N'-di(propan-2-yl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 554
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	142.3
[M+Na]+	181.167518	146.0
[M-H]-	157.171024	142.1
[M+NH4]+	176.212123	162.7
[M+K]+	197.141458	145.9
[M+H-H2O]+	141.175560	136.5
[M+HCOO]-	203.176501	165.1
[M+CH3COO]-	217.192151	187.7
[M+Na-2H]-	179.152966	145.5
[M]+	158.17775142	141.7
[M]-	158.17884858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe