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]+ 276.23218 170.5
[M+Na]+ 298.21412 172.5
[M-H]- 274.21762 173.9
[M+NH4]+ 293.25872 184.7
[M+K]+ 314.18806 169.7
[M+H-H2O]+ 258.22216 161.6
[M+HCOO]- 320.22310 186.0
[M+CH3COO]- 334.23875 202.5
[M+Na-2H]- 296.19957 170.2
[M]+ 275.22435 167.7
[M]- 275.22545 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.