CID 82013

Morpholine, 4-(4-methoxybenzoyl)-

Structural Information

Molecular Formula
C12H15NO3
SMILES
COC1=CC=C(C=C1)C(=O)N2CCOCC2
InChI
InChI=1S/C12H15NO3/c1-15-11-4-2-10(3-5-11)12(14)13-6-8-16-9-7-13/h2-5H,6-9H2,1H3
InChIKey
NQXDFSXYFLBDHX-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

221.1052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 148.5
[M+Na]+ 244.094418 153.9
[M-H]- 220.097924 153.8
[M+NH4]+ 239.139023 163.6
[M+K]+ 260.068358 153.5
[M+H-H2O]+ 204.102460 140.4
[M+HCOO]- 266.103401 166.9
[M+CH3COO]- 280.119051 186.3
[M+Na-2H]- 242.079866 153.6
[M]+ 221.10465142 147.0
[M]- 221.10574858 147.0
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