CID 120901

H.c. 6010

Structural Information

Molecular Formula
C16H22ClNO2
SMILES
C1CCN(CC1)CC2(COC2)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H22ClNO2/c17-14-4-6-15(7-5-14)20-13-16(11-19-12-16)10-18-8-2-1-3-9-18/h4-7H,1-3,8-13H2
InChIKey
DJTBOSSGDWAAEW-UHFFFAOYSA-N
Compound name
1-[[3-[(4-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]+ 296.14118 159.3
[M+Na]+ 318.12312 163.5
[M-H]- 294.12662 166.4
[M+NH4]+ 313.16772 168.0
[M+K]+ 334.09706 163.3
[M+H-H2O]+ 278.13116 146.5
[M+HCOO]- 340.13210 171.1
[M+CH3COO]- 354.14775 201.2
[M+Na-2H]- 316.10857 164.1
[M]+ 295.13335 167.3
[M]- 295.13445 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.