CID 469905

3964-14-5

Structural Information

Molecular Formula

C₁₂H₂₈N₂

SMILES

CCC(C)(C)NCCNC(C)(C)CC

InChI

InChI=1S/C12H28N2/c1-7-11(3,4)13-9-10-14-12(5,6)8-2/h13-14H,7-10H2,1-6H3

InChIKey

UYOJXUUSHHHEHC-UHFFFAOYSA-N

Compound name

N,N'-bis(2-methylbutan-2-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 200.22525 Da
Monoisotopic Mass: 2.4
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]+	201.23253	153.8
[M+Na]+	223.21447	157.7
[M-H]-	199.21797	153.5
[M+NH4]+	218.25907	172.9
[M+K]+	239.18841	156.6
[M+H-H2O]+	183.22251	148.7
[M+HCOO]-	245.22345	174.4
[M+CH3COO]-	259.23910	195.9
[M+Na-2H]-	221.19992	159.4
[M]+	200.22470	154.7
[M]-	200.22580	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe