CID 107123

Q 160

Structural Information

Molecular Formula
C19H32NO4
SMILES
CCCCOC1=CC=C(C=C1)[N+]2(CCOC(C2)CCOOCC)C
InChI
InChI=1S/C19H32NO4/c1-4-6-13-21-18-9-7-17(8-10-18)20(3)12-15-22-19(16-20)11-14-24-23-5-2/h7-10,19H,4-6,11-16H2,1-3H3/q+1
InChIKey
NABPABWJAVVYFO-UHFFFAOYSA-N
Compound name
4-(4-butoxyphenyl)-2-(2-ethylperoxyethyl)-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.23312 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24040 184.0
[M+Na]+ 361.22234 187.6
[M-H]- 337.22584 188.6
[M+NH4]+ 356.26694 196.6
[M+K]+ 377.19628 180.9
[M+H-H2O]+ 321.23038 177.6
[M+HCOO]- 383.23132 200.4
[M+CH3COO]- 397.24697 203.9
[M+Na-2H]- 359.20779 189.3
[M]+ 338.23257 186.6
[M]- 338.23367 186.6
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.