CID 46882

64049-54-3

Structural Information

Molecular Formula
C16H30N2O2
SMILES
C[N+](C)(C)CCOC1=CC=C(C=C1)OCC[N+](C)(C)C
InChI
InChI=1S/C16H30N2O2/c1-17(2,3)11-13-19-15-7-9-16(10-8-15)20-14-12-18(4,5)6/h7-10H,11-14H2,1-6H3/q+2
InChIKey
JLYHVZGMVYSUFE-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-[2-(trimethylazaniumyl)ethoxy]phenoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.23074 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.23802 165.6
[M+Na]+ 305.21996 170.5
[M-H]- 281.22346 171.8
[M+NH4]+ 300.26456 182.4
[M+K]+ 321.19390 159.3
[M+H-H2O]+ 265.22800 164.3
[M+HCOO]- 327.22894 188.9
[M+CH3COO]- 341.24459 200.9
[M+Na-2H]- 303.20541 177.6
[M]+ 282.23019 169.0
[M]- 282.23129 169.0
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

No patent data available for this compound.