CID 8459

121-05-1

Structural Information

Molecular Formula

C₈H₂₀N₂

SMILES

CC(C)N(CCN)C(C)C

InChI

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

InChIKey

CURJNMSGPBXOGK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 3005
Patents: 144.16264 Da
Monoisotopic Mass: 0.9
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	138.1
[M+Na]+	167.15186	142.5
[M-H]-	143.15536	139.1
[M+NH4]+	162.19646	159.5
[M+K]+	183.12580	143.7
[M+H-H2O]+	127.15990	132.4
[M+HCOO]-	189.16084	161.1
[M+CH3COO]-	203.17649	187.5
[M+Na-2H]-	165.13731	140.0
[M]+	144.16209	137.4
[M]-	144.16319	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe