CID 14251537

2-methylbutane-2,3-diamine dihydrochloride

Structural Information

Molecular Formula

C₅H₁₄N₂

SMILES

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

InChI

InChI=1S/C5H14N2/c1-4(6)5(2,3)7/h4H,6-7H2,1-3H3

InChIKey

MIKNSPXOIZYKIT-UHFFFAOYSA-N

Compound name

2-methylbutane-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3461
Patents: 102.1157 Da
Monoisotopic Mass: -0.6
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]+	103.122976	123.4
[M+Na]+	125.104918	129.5
[M-H]-	101.108424	123.1
[M+NH4]+	120.149523	145.6
[M+K]+	141.078858	129.6
[M+H-H2O]+	85.112960	119.1
[M+HCOO]-	147.113901	145.6
[M+CH3COO]-	161.129551	173.6
[M+Na-2H]-	123.090366	128.5
[M]+	102.11515142	119.4
[M]-	102.11624858	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe