CID 23396797

85117-93-7

Structural Information

Molecular Formula
C16H38N2O4
SMILES
C[N+](CCCCCC[N+](C)(CCO)CCO)(CCO)CCO
InChI
InChI=1S/C16H38N2O4/c1-17(9-13-19,10-14-20)7-5-3-4-6-8-18(2,11-15-21)12-16-22/h19-22H,3-16H2,1-2H3/q+2
InChIKey
HLFFJFZEUVQDMS-UHFFFAOYSA-N
Compound name
6-[bis(2-hydroxyethyl)-methylazaniumyl]hexyl-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

322.28317 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.29045 176.3
[M+Na]+ 345.27239 177.3
[M-H]- 321.27589 208.7
[M+NH4]+ 340.31699 206.6
[M+K]+ 361.24633 164.2
[M+H-H2O]+ 305.28043 176.2
[M+HCOO]- 367.28137 229.8
[M+CH3COO]- 381.29702 197.4
[M+Na-2H]- 343.25784 185.4
[M]+ 322.28262 177.0
[M]- 322.28372 177.0
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