CID 22309127

3-(3-methylphenoxy)piperidine

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=CC(=CC=C1)OC2CCCNC2
InChI
InChI=1S/C12H17NO/c1-10-4-2-5-11(8-10)14-12-6-3-7-13-9-12/h2,4-5,8,12-13H,3,6-7,9H2,1H3
InChIKey
BTLCVZXSRONKNN-UHFFFAOYSA-N
Compound name
3-(3-methylphenoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

191.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.4
[M+Na]+ 214.12023 157.2
[M+NH4]+ 209.16483 153.5
[M+K]+ 230.09417 149.7
[M-H]- 190.12373 148.2
[M+Na-2H]- 212.10568 152.2
[M]+ 191.13046 147.2
[M]- 191.13156 147.2
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