CID 58763

101710-69-4

Structural Information

Molecular Formula
C16H38N2
SMILES
CC(C)(CCCCC(C)(C)[N+](C)(C)C)[N+](C)(C)C
InChI
InChI=1S/C16H38N2/c1-15(2,17(5,6)7)13-11-12-14-16(3,4)18(8,9)10/h11-14H2,1-10H3/q+2
InChIKey
OBTUCYODXRVVPK-UHFFFAOYSA-N
Compound name
[2,7-dimethyl-7-(trimethylazaniumyl)octan-2-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.3035 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.31078 157.4
[M+Na]+ 281.29272 161.7
[M-H]- 257.29622 160.6
[M+NH4]+ 276.33732 175.8
[M+K]+ 297.26666 151.6
[M+H-H2O]+ 241.30076 158.8
[M+HCOO]- 303.30170 175.9
[M+CH3COO]- 317.31735 202.1
[M+Na-2H]- 279.27817 170.4
[M]+ 258.30295 159.2
[M]- 258.30405 159.2
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.