CID 54673

(1-methyl-3-piperidinyl)methyl (4-chlorophenoxy)acetate hydrochloride

Structural Information

Molecular Formula
C15H20ClNO3
SMILES
CN1CCCC(C1)COC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H20ClNO3/c1-17-8-2-3-12(9-17)10-20-15(18)11-19-14-6-4-13(16)5-7-14/h4-7,12H,2-3,8-11H2,1H3
InChIKey
YFRAHYVGUJKJDE-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

297.11316 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12044 167.4
[M+Na]+ 320.10238 172.9
[M-H]- 296.10588 171.6
[M+NH4]+ 315.14698 181.8
[M+K]+ 336.07632 169.1
[M+H-H2O]+ 280.11042 159.4
[M+HCOO]- 342.11136 181.0
[M+CH3COO]- 356.12701 200.1
[M+Na-2H]- 318.08783 168.9
[M]+ 297.11261 168.8
[M]- 297.11371 168.8
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

patents stripe