CID 42677

N,n'-di-2-pentylethylenediamine dihydrobromide

Structural Information

Molecular Formula
C12H28N2
SMILES
CCCC(C)NCCNC(C)CCC
InChI
InChI=1S/C12H28N2/c1-5-7-11(3)13-9-10-14-12(4)8-6-2/h11-14H,5-10H2,1-4H3
InChIKey
MEDKKMLZDPVMCW-UHFFFAOYSA-N
Compound name
N,N'-di(pentan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

200.22525 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.23253 156.0
[M+Na]+ 223.21447 158.5
[M-H]- 199.21797 155.2
[M+NH4]+ 218.25907 174.7
[M+K]+ 239.18841 157.5
[M+H-H2O]+ 183.22251 149.6
[M+HCOO]- 245.22345 177.7
[M+CH3COO]- 259.23910 196.8
[M+Na-2H]- 221.19992 157.5
[M]+ 200.22470 156.5
[M]- 200.22580 156.5
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

patents stripe