CID 25710

13112-74-8

Structural Information

Molecular Formula
C16H38N2
SMILES
CCC[N+](C)(C)CCCCCC[N+](C)(C)CCC
InChI
InChI=1S/C16H38N2/c1-7-13-17(3,4)15-11-9-10-12-16-18(5,6)14-8-2/h7-16H2,1-6H3/q+2
InChIKey
YUQQPGNLSCCNFK-UHFFFAOYSA-N
Compound name
6-[dimethyl(propyl)azaniumyl]hexyl-dimethyl-propylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.3035 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.31078 164.5
[M+Na]+ 281.29272 167.8
[M-H]- 257.29622 166.9
[M+NH4]+ 276.33732 182.6
[M+K]+ 297.26666 156.5
[M+H-H2O]+ 241.30076 164.4
[M+HCOO]- 303.30170 185.9
[M+CH3COO]- 317.31735 201.4
[M+Na-2H]- 279.27817 174.3
[M]+ 258.30295 167.4
[M]- 258.30405 167.4
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.