CID 42553438

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

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1=CC(=C(C=C1)OC)OC2CCNCC2
InChI
InChI=1S/C13H19NO2/c1-10-3-4-12(15-2)13(9-10)16-11-5-7-14-8-6-11/h3-4,9,11,14H,5-8H2,1-2H3
InChIKey
WPUJDGCACOBYRF-UHFFFAOYSA-N
Compound name
4-(2-methoxy-5-methylphenoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.1
[M+Na]+ 244.13081 156.4
[M-H]- 220.13431 154.4
[M+NH4]+ 239.17541 167.3
[M+K]+ 260.10475 153.4
[M+H-H2O]+ 204.13885 143.3
[M+HCOO]- 266.13979 169.1
[M+CH3COO]- 280.15544 186.4
[M+Na-2H]- 242.11626 154.8
[M]+ 221.14104 147.8
[M]- 221.14214 147.8
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