CID 3068810

1-((3,4-dihydro-8-methoxy-2h-1-benzopyran-3-yl)methyl)piperidine hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
COC1=CC=CC2=C1OCC(C2)CN3CCCCC3
InChI
InChI=1S/C16H23NO2/c1-18-15-7-5-6-14-10-13(12-19-16(14)15)11-17-8-3-2-4-9-17/h5-7,13H,2-4,8-12H2,1H3
InChIKey
NTUWXGBQAYSJRU-UHFFFAOYSA-N
Compound name
1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 161.9
[M+Na]+ 284.162098 165.6
[M-H]- 260.165604 166.9
[M+NH4]+ 279.206703 176.3
[M+K]+ 300.136038 163.5
[M+H-H2O]+ 244.170140 152.8
[M+HCOO]- 306.171081 176.2
[M+CH3COO]- 320.186731 171.8
[M+Na-2H]- 282.147546 166.1
[M]+ 261.17233142 157.7
[M]- 261.17342858 157.7
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.