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]+ 229.26383 161.5
[M+Na]+ 251.24577 165.0
[M-H]- 227.24927 163.9
[M+NH4]+ 246.29037 180.8
[M+K]+ 267.21971 166.3
[M+H-H2O]+ 211.25381 155.8
[M+HCOO]- 273.25475 182.6
[M+CH3COO]- 287.27040 209.0
[M+Na-2H]- 249.23122 164.8
[M]+ 228.25600 165.8
[M]- 228.25710 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.