CID 11170953

2-methylpentane-1,2-diamine

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

CCCC(C)(CN)N

InChI

InChI=1S/C6H16N2/c1-3-4-6(2,8)5-7/h3-5,7-8H2,1-2H3

InChIKey

XUDPMVLRRITCFQ-UHFFFAOYSA-N

Compound name

2-methylpentane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 116.13135 Da
Monoisotopic Mass: -0.2
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]+	117.13863	126.0
[M+Na]+	139.12057	134.1
[M+NH4]+	134.16517	133.8
[M+K]+	155.09451	129.7
[M-H]-	115.12407	126.1
[M+Na-2H]-	137.10602	129.5
[M]+	116.13080	126.9
[M]-	116.13190	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe