CID 116313

64039-06-1

Structural Information

Molecular Formula
C22H46N2O2
SMILES
C[N+]1(CCOCC1)CCCCCCCCCCCC[N+]2(CCOCC2)C
InChI
InChI=1S/C22H46N2O2/c1-23(15-19-25-20-16-23)13-11-9-7-5-3-4-6-8-10-12-14-24(2)17-21-26-22-18-24/h3-22H2,1-2H3/q+2
InChIKey
RWKTWTWPAAUDTL-UHFFFAOYSA-N
Compound name
4-methyl-4-[12-(4-methylmorpholin-4-ium-4-yl)dodecyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

370.35593 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.36321 196.4
[M+Na]+ 393.34515 194.7
[M-H]- 369.34865 198.0
[M+NH4]+ 388.38975 206.0
[M+K]+ 409.31909 182.8
[M+H-H2O]+ 353.35319 191.5
[M+HCOO]- 415.35413 204.1
[M+CH3COO]- 429.36978 204.7
[M+Na-2H]- 391.33060 202.2
[M]+ 370.35538 191.8
[M]- 370.35648 191.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe