CID 215993

2-(2,5-dimethoxyphenyl)-3-methylmorpholine

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC1C(OCCN1)C2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C13H19NO3/c1-9-13(17-7-6-14-9)11-8-10(15-2)4-5-12(11)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3
InChIKey
FPJVRCKJQFTRBV-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxyphenyl)-3-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

237.13649 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 154.6
[M+Na]+ 260.12571 160.9
[M-H]- 236.12921 158.9
[M+NH4]+ 255.17031 169.1
[M+K]+ 276.09965 159.5
[M+H-H2O]+ 220.13375 146.8
[M+HCOO]- 282.13469 171.9
[M+CH3COO]- 296.15034 189.8
[M+Na-2H]- 258.11116 158.4
[M]+ 237.13594 153.8
[M]- 237.13704 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe