CID 58497

2,7-bis(dimethylamino)-2,7-dimethyloctane

Structural Information

Molecular Formula
C14H32N2
SMILES
CC(C)(CCCCC(C)(C)N(C)C)N(C)C
InChI
InChI=1S/C14H32N2/c1-13(2,15(5)6)11-9-10-12-14(3,4)16(7)8/h9-12H2,1-8H3
InChIKey
ADAGDWMLFLIYST-UHFFFAOYSA-N
Compound name
2-N,2-N,7-N,7-N,2,7-hexamethyloctane-2,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.25655 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.263826 161.5
[M+Na]+ 251.245768 165.0
[M-H]- 227.249274 163.9
[M+NH4]+ 246.290373 180.8
[M+K]+ 267.219708 166.3
[M+H-H2O]+ 211.253810 155.8
[M+HCOO]- 273.254751 182.6
[M+CH3COO]- 287.270401 209.0
[M+Na-2H]- 249.231216 164.8
[M]+ 228.25600142 165.8
[M]- 228.25709858 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.