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

4
Patents

235.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 155.9
[M+Na]+ 258.14645 159.4
[M-H]- 234.14995 158.6
[M+NH4]+ 253.19105 171.0
[M+K]+ 274.12039 156.7
[M+H-H2O]+ 218.15449 147.7
[M+HCOO]- 280.15543 172.5
[M+CH3COO]- 294.17108 189.1
[M+Na-2H]- 256.13190 158.5
[M]+ 235.15668 151.9
[M]- 235.15778 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