CID 226845

80135-19-9

Structural Information

Molecular Formula

C₈H₂₁N₃

SMILES

CC(C)(CNCC(C)(C)N)N

InChI

InChI=1S/C8H21N3/c1-7(2,9)5-11-6-8(3,4)10/h11H,5-6,9-10H2,1-4H3

InChIKey

LAFADOMFLHUDQO-UHFFFAOYSA-N

Compound name

1-N-(2-amino-2-methylpropyl)-2-methylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 159.17355 Da
Monoisotopic Mass: -0.8
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]+	160.18083	138.8
[M+Na]+	182.16277	144.8
[M+NH4]+	177.20737	145.5
[M+K]+	198.13671	141.7
[M-H]-	158.16627	138.4
[M+Na-2H]-	180.14822	141.3
[M]+	159.17300	139.2
[M]-	159.17410	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe