CID 469904

N,n'-bis(3-methyl-2-butyl)-ethylenediamine

Structural Information

Molecular Formula
C12H28N2
SMILES
CC(C)C(C)NCCNC(C)C(C)C
InChI
InChI=1S/C12H28N2/c1-9(2)11(5)13-7-8-14-12(6)10(3)4/h9-14H,7-8H2,1-6H3
InChIKey
BCJDHWHTAVFSAZ-UHFFFAOYSA-N
Compound name
N,N'-bis(3-methylbutan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

200.22525 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.23253 157.2
[M+Na]+ 223.21447 159.3
[M-H]- 199.21797 156.6
[M+NH4]+ 218.25907 175.8
[M+K]+ 239.18841 159.4
[M+H-H2O]+ 183.22251 151.1
[M+HCOO]- 245.22345 177.0
[M+CH3COO]- 259.23910 198.6
[M+Na-2H]- 221.19992 156.1
[M]+ 200.22470 156.4
[M]- 200.22580 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.