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]+ 292.190716 169.8
[M+Na]+ 314.172658 173.9
[M-H]- 290.176164 175.0
[M+NH4]+ 309.217263 183.2
[M+K]+ 330.146598 172.1
[M+H-H2O]+ 274.180700 160.5
[M+HCOO]- 336.181641 183.9
[M+CH3COO]- 350.197291 202.7
[M+Na-2H]- 312.158106 172.8
[M]+ 291.18289142 167.8
[M]- 291.18398858 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.