CID 121495

Piperidine, 1-((3-((o-chlorophenoxy)methyl)-3-oxetanyl)methyl)-, maleate

Structural Information

Molecular Formula
C16H22ClNO2
SMILES
C1CCN(CC1)CC2(COC2)COC3=CC=CC=C3Cl
InChI
InChI=1S/C16H22ClNO2/c17-14-6-2-3-7-15(14)20-13-16(11-19-12-16)10-18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-13H2
InChIKey
JPEVIHVUENSZKE-UHFFFAOYSA-N
Compound name
1-[[3-[(2-chlorophenoxy)methyl]oxetan-3-yl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1339 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.141176 159.3
[M+Na]+ 318.123118 163.5
[M-H]- 294.126624 166.4
[M+NH4]+ 313.167723 168.0
[M+K]+ 334.097058 163.3
[M+H-H2O]+ 278.131160 146.5
[M+HCOO]- 340.132101 171.1
[M+CH3COO]- 354.147751 201.2
[M+Na-2H]- 316.108566 164.1
[M]+ 295.13335142 167.3
[M]- 295.13444858 167.3
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.