CID 3075547

185759-08-4

Structural Information

Molecular Formula
C15H20BrNO4
SMILES
CCOC(=O)OCCN1CCOC(C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H20BrNO4/c1-2-19-15(18)21-10-8-17-7-9-20-14(11-17)12-3-5-13(16)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKey
DWZSAUTWSHXSCO-UHFFFAOYSA-N
Compound name
2-[2-(4-bromophenyl)morpholin-4-yl]ethyl ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.05756 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.06484 175.3
[M+Na]+ 380.04678 182.9
[M-H]- 356.05028 182.5
[M+NH4]+ 375.09138 189.1
[M+K]+ 396.02072 173.9
[M+H-H2O]+ 340.05482 172.9
[M+HCOO]- 402.05576 190.5
[M+CH3COO]- 416.07141 206.7
[M+Na-2H]- 378.03223 178.9
[M]+ 357.05701 195.1
[M]- 357.05811 195.1
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.