CID 3053539

1-((3,4-dihydro-6,7-dimethoxy-1h-2-benzopyran-1-yl)methyl)piperidine hydrochloride

Structural Information

Molecular Formula
C17H25NO3
SMILES
COC1=C(C=C2C(OCCC2=C1)CN3CCCCC3)OC
InChI
InChI=1S/C17H25NO3/c1-19-15-10-13-6-9-21-17(14(13)11-16(15)20-2)12-18-7-4-3-5-8-18/h10-11,17H,3-9,12H2,1-2H3
InChIKey
LQFZBSGZAUWWJX-UHFFFAOYSA-N
Compound name
1-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 169.8
[M+Na]+ 314.17266 173.9
[M-H]- 290.17616 175.0
[M+NH4]+ 309.21726 183.2
[M+K]+ 330.14660 172.1
[M+H-H2O]+ 274.18070 160.5
[M+HCOO]- 336.18164 183.9
[M+CH3COO]- 350.19729 202.7
[M+Na-2H]- 312.15811 172.8
[M]+ 291.18289 167.8
[M]- 291.18399 167.8
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.