CID 77628

N,n'-diisopropylethylenediamine

Structural Information

Molecular Formula

C₈H₂₀N₂

SMILES

CC(C)NCCNC(C)C

InChI

InChI=1S/C8H20N2/c1-7(2)9-5-6-10-8(3)4/h7-10H,5-6H2,1-4H3

InChIKey

MFIGJRRHGZYPDD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 2598
Patents: 144.16264 Da
Monoisotopic Mass: 1.0
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]+	145.16992	137.7
[M+Na]+	167.15186	141.9
[M-H]-	143.15536	137.7
[M+NH4]+	162.19646	158.6
[M+K]+	183.12580	142.0
[M+H-H2O]+	127.15990	132.2
[M+HCOO]-	189.16084	160.8
[M+CH3COO]-	203.17649	184.6
[M+Na-2H]-	165.13731	141.4
[M]+	144.16209	136.7
[M]-	144.16319	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe