CID 212234

23966-70-3

Structural Information

Molecular Formula
C19H30NO5
SMILES
CCCCOC1=C(C=CC=C1OC)C(=O)OCC[N+]2(CCOCC2)C
InChI
InChI=1S/C19H30NO5/c1-4-5-12-24-18-16(7-6-8-17(18)22-3)19(21)25-15-11-20(2)9-13-23-14-10-20/h6-8H,4-5,9-15H2,1-3H3/q+1
InChIKey
BDIILYVGFWLVDV-UHFFFAOYSA-N
Compound name
2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-butoxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2124 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.21968 185.8
[M+Na]+ 375.20162 189.4
[M-H]- 351.20512 190.6
[M+NH4]+ 370.24622 197.7
[M+K]+ 391.17556 183.2
[M+H-H2O]+ 335.20966 179.7
[M+HCOO]- 397.21060 201.6
[M+CH3COO]- 411.22625 205.1
[M+Na-2H]- 373.18707 190.3
[M]+ 352.21185 188.5
[M]- 352.21295 188.5
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.