CID 46059

63982-10-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.3035 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.310776 164.5
[M+Na]+ 281.292718 167.8
[M-H]- 257.296224 166.9
[M+NH4]+ 276.337323 182.6
[M+K]+ 297.266658 156.5
[M+H-H2O]+ 241.300760 164.4
[M+HCOO]- 303.301701 185.9
[M+CH3COO]- 317.317351 201.4
[M+Na-2H]- 279.278166 174.3
[M]+ 258.30295142 167.4
[M]- 258.30404858 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

patents stripe