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

45
Patents

225.09204 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 149.6
[M+Na]+ 248.08126 156.2
[M-H]- 224.08476 152.7
[M+NH4]+ 243.12586 166.5
[M+K]+ 264.05520 151.1
[M+H-H2O]+ 208.08930 142.7
[M+HCOO]- 270.09024 163.1
[M+CH3COO]- 284.10589 185.1
[M+Na-2H]- 246.06671 153.3
[M]+ 225.09149 146.5
[M]- 225.09259 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