CID 213576

Fc 57

Structural Information

Molecular Formula
C15H19NO4
SMILES
COC1=CC(=CC(=C1O)C(=O)N2CCOCC2)CC=C
InChI
InChI=1S/C15H19NO4/c1-3-4-11-9-12(14(17)13(10-11)19-2)15(18)16-5-7-20-8-6-16/h3,9-10,17H,1,4-8H2,2H3
InChIKey
HBDLTMPFYFVGRM-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 164.2
[M+Na]+ 300.12062 169.9
[M-H]- 276.12412 168.4
[M+NH4]+ 295.16522 176.8
[M+K]+ 316.09456 167.9
[M+H-H2O]+ 260.12866 156.1
[M+HCOO]- 322.12960 180.4
[M+CH3COO]- 336.14525 196.7
[M+Na-2H]- 298.10607 165.9
[M]+ 277.13085 163.5
[M]- 277.13195 163.5
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.