CID 37295

Ethylamine, 2-(bis(2,6-dimethylphenyl)methoxy)-n,n-dimethyl-, n-oxide, hydrochloride

Structural Information

Molecular Formula
C21H30NO2
SMILES
CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)OCC[N+](C)(C)O
InChI
InChI=1S/C21H30NO2/c1-15-9-7-10-16(2)19(15)21(24-14-13-22(5,6)23)20-17(3)11-8-12-18(20)4/h7-12,21,23H,13-14H2,1-6H3/q+1
InChIKey
KUFLBBSSRDOLOJ-UHFFFAOYSA-N
Compound name
2-[bis(2,6-dimethylphenyl)methoxy]ethyl-hydroxy-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.22766 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.23494 181.2
[M+Na]+ 351.21688 187.3
[M-H]- 327.22038 188.2
[M+NH4]+ 346.26148 195.5
[M+K]+ 367.19082 178.3
[M+H-H2O]+ 311.22492 176.2
[M+HCOO]- 373.22586 201.4
[M+CH3COO]- 387.24151 210.9
[M+Na-2H]- 349.20233 185.0
[M]+ 328.22711 183.6
[M]- 328.22821 183.6
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.