CID 208479

T 2428

Structural Information

Molecular Formula
C19H30NO4
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCC[N+]2(CCOCC2)C
InChI
InChI=1S/C19H30NO4/c1-15(2)17-6-5-16(3)13-18(17)24-14-19(21)23-12-9-20(4)7-10-22-11-8-20/h5-6,13,15H,7-12,14H2,1-4H3/q+1
InChIKey
NZSYGRUWHNPQNX-UHFFFAOYSA-N
Compound name
2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.21747 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22475 182.5
[M+Na]+ 359.20669 186.0
[M-H]- 335.21019 187.4
[M+NH4]+ 354.25129 195.0
[M+K]+ 375.18063 179.7
[M+H-H2O]+ 319.21473 176.8
[M+HCOO]- 381.21567 197.1
[M+CH3COO]- 395.23132 203.9
[M+Na-2H]- 357.19214 185.6
[M]+ 336.21692 183.1
[M]- 336.21802 183.1
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.