CID 24208825

3-(2-isopropoxyphenoxy)piperidine

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C)OC1=CC=CC=C1OC2CCCNC2
InChI
InChI=1S/C14H21NO2/c1-11(2)16-13-7-3-4-8-14(13)17-12-6-5-9-15-10-12/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3
InChIKey
QCCYVFAQQRSICD-UHFFFAOYSA-N
Compound name
3-(2-propan-2-yloxyphenoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

235.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 155.9
[M+Na]+ 258.146448 159.4
[M-H]- 234.149954 158.6
[M+NH4]+ 253.191053 171.0
[M+K]+ 274.120388 156.7
[M+H-H2O]+ 218.154490 147.7
[M+HCOO]- 280.155431 172.5
[M+CH3COO]- 294.171081 189.1
[M+Na-2H]- 256.131896 158.5
[M]+ 235.15668142 151.9
[M]- 235.15777858 151.9
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