CID 3054556

Brn 0430647

Structural Information

Molecular Formula
C16H20ClNO4
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)C)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H20ClNO4/c1-3-21-15(20)16(8-10-18(11-9-16)12(2)19)22-14-6-4-13(17)5-7-14/h4-7H,3,8-11H2,1-2H3
InChIKey
QXGSBRCRYUDFJL-UHFFFAOYSA-N
Compound name
ethyl 1-acetyl-4-(4-chlorophenoxy)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1081 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11538 171.8
[M+Na]+ 348.09732 178.0
[M-H]- 324.10082 176.5
[M+NH4]+ 343.14192 187.1
[M+K]+ 364.07126 174.9
[M+H-H2O]+ 308.10536 164.8
[M+HCOO]- 370.10630 184.7
[M+CH3COO]- 384.12195 204.2
[M+Na-2H]- 346.08277 173.2
[M]+ 325.10755 174.2
[M]- 325.10865 174.2
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.