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]+ 300.099716 166.4
[M+Na]+ 322.081658 172.5
[M-H]- 298.085164 171.5
[M+NH4]+ 317.126263 179.6
[M+K]+ 338.055598 170.5
[M+H-H2O]+ 282.089700 158.5
[M+HCOO]- 344.090641 179.7
[M+CH3COO]- 358.106291 198.7
[M+Na-2H]- 320.067106 169.3
[M]+ 299.09189142 169.5
[M]- 299.09298858 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.