CID 3053558

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

Structural Information

Molecular Formula
C16H23NO3
SMILES
COC1=C(C=C2C(OCCC2=C1)CN3CCCC3)OC
InChI
InChI=1S/C16H23NO3/c1-18-14-9-12-5-8-20-16(11-17-6-3-4-7-17)13(12)10-15(14)19-2/h9-10,16H,3-8,11H2,1-2H3
InChIKey
CYFVQTVIUDIKEP-UHFFFAOYSA-N
Compound name
1-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 165.0
[M+Na]+ 300.15702 170.6
[M-H]- 276.16052 171.0
[M+NH4]+ 295.20162 181.2
[M+K]+ 316.13096 169.0
[M+H-H2O]+ 260.16506 157.2
[M+HCOO]- 322.16600 181.9
[M+CH3COO]- 336.18165 199.1
[M+Na-2H]- 298.14247 167.0
[M]+ 277.16725 165.1
[M]- 277.16835 165.1
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.