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]+ 314.11538 166.0
[M+Na]+ 336.09732 169.8
[M-H]- 312.10082 171.4
[M+NH4]+ 331.14192 177.4
[M+K]+ 352.07126 172.4
[M+H-H2O]+ 296.10536 157.8
[M+HCOO]- 358.10630 178.8
[M+CH3COO]- 372.12195 201.7
[M+Na-2H]- 334.08277 169.0
[M]+ 313.10755 165.7
[M]- 313.10865 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.