CID 3075549

185759-09-5

Structural Information

Molecular Formula
C14H18ClNO4
SMILES
COC(=O)OCCN1CCOC(C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H18ClNO4/c1-18-14(17)20-9-7-16-6-8-19-13(10-16)11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3
InChIKey
ISTOYMZJDJSIOP-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.09244 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09972 166.4
[M+Na]+ 322.08166 172.5
[M-H]- 298.08516 171.5
[M+NH4]+ 317.12626 179.6
[M+K]+ 338.05560 170.5
[M+H-H2O]+ 282.08970 158.5
[M+HCOO]- 344.09064 179.7
[M+CH3COO]- 358.10629 198.7
[M+Na-2H]- 320.06711 169.3
[M]+ 299.09189 169.5
[M]- 299.09299 169.5
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.