CID 109313

68334-54-3

Structural Information

Molecular Formula
C18H42N2O4
SMILES
C[N+](C)(C)CC(COCCCCCCOCC(C[N+](C)(C)C)O)O
InChI
InChI=1S/C18H42N2O4/c1-19(2,3)13-17(21)15-23-11-9-7-8-10-12-24-16-18(22)14-20(4,5)6/h17-18,21-22H,7-16H2,1-6H3/q+2
InChIKey
ONTVADZKXQPMSJ-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-[6-[2-hydroxy-3-(trimethylazaniumyl)propoxy]hexoxy]propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.31445 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.32173 218.2
[M+Na]+ 373.30367 224.5
[M-H]- 349.30717 217.1
[M+NH4]+ 368.34827 219.3
[M+K]+ 389.27761 216.8
[M+H-H2O]+ 333.31171 185.2
[M+HCOO]- 395.31265 233.1
[M+CH3COO]- 409.32830 209.7
[M+Na-2H]- 371.28912 207.4
[M]+ 350.31390 216.2
[M]- 350.31500 216.2
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.