CID 215049

34812-33-4

Structural Information

Molecular Formula
C15H20ClNO4
SMILES
C1CN(CCOC1)CCOC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H20ClNO4/c16-13-2-4-14(5-3-13)21-12-15(18)20-11-8-17-6-1-9-19-10-7-17/h2-5H,1,6-12H2
InChIKey
OOTGVNOBTIPORR-UHFFFAOYSA-N
Compound name
2-(1,4-oxazepan-4-yl)ethyl 2-(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1081 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.115376 166.0
[M+Na]+ 336.097318 169.8
[M-H]- 312.100824 171.4
[M+NH4]+ 331.141923 177.4
[M+K]+ 352.071258 172.4
[M+H-H2O]+ 296.105360 157.8
[M+HCOO]- 358.106301 178.8
[M+CH3COO]- 372.121951 201.7
[M+Na-2H]- 334.082766 169.0
[M]+ 313.10755142 165.7
[M]- 313.10864858 165.7
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.