CID 17195100

4-(2-chloro-5-methylphenoxy)piperidine

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CC1=CC(=C(C=C1)Cl)OC2CCNCC2
InChI
InChI=1S/C12H16ClNO/c1-9-2-3-11(13)12(8-9)15-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKey
MTMIZXIWQUAWTF-UHFFFAOYSA-N
Compound name
4-(2-chloro-5-methylphenoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

225.09204 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.099316 149.6
[M+Na]+ 248.081258 156.2
[M-H]- 224.084764 152.7
[M+NH4]+ 243.125863 166.5
[M+K]+ 264.055198 151.1
[M+H-H2O]+ 208.089300 142.7
[M+HCOO]- 270.090241 163.1
[M+CH3COO]- 284.105891 185.1
[M+Na-2H]- 246.066706 153.3
[M]+ 225.09149142 146.5
[M]- 225.09258858 146.5
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