CID 204993

1-(beta-butoxy-p-methylphenethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C18H29NO
SMILES
CCC(C)OC(CC1=CC=C(C=C1)C)N2CCCCC2
InChI
InChI=1S/C18H29NO/c1-4-16(3)20-18(19-12-6-5-7-13-19)14-17-10-8-15(2)9-11-17/h8-11,16,18H,4-7,12-14H2,1-3H3
InChIKey
QLQHPFZJIUABSZ-UHFFFAOYSA-N
Compound name
1-[1-butan-2-yloxy-2-(4-methylphenyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 170.5
[M+Na]+ 298.214118 172.5
[M-H]- 274.217624 173.9
[M+NH4]+ 293.258723 184.7
[M+K]+ 314.188058 169.7
[M+H-H2O]+ 258.222160 161.6
[M+HCOO]- 320.223101 186.0
[M+CH3COO]- 334.238751 202.5
[M+Na-2H]- 296.199566 170.2
[M]+ 275.22435142 167.7
[M]- 275.22544858 167.7
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

No patent data available for this compound.