CID 59527285

6-[(oxan-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline; trifluoroacetic acid

Structural Information

Molecular Formula
C15H21NO2
SMILES
C1COCCC1COC2=CC3=C(CNCC3)C=C2
InChI
InChI=1S/C15H21NO2/c1-2-15(9-13-3-6-16-10-14(1)13)18-11-12-4-7-17-8-5-12/h1-2,9,12,16H,3-8,10-11H2
InChIKey
KVWXFUWOHHNKSI-UHFFFAOYSA-N
Compound name
6-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

247.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 156.9
[M+Na]+ 270.146448 159.8
[M-H]- 246.149954 160.4
[M+NH4]+ 265.191053 170.9
[M+K]+ 286.120388 156.9
[M+H-H2O]+ 230.154490 148.2
[M+HCOO]- 292.155431 170.1
[M+CH3COO]- 306.171081 166.3
[M+Na-2H]- 268.131896 162.0
[M]+ 247.15668142 150.3
[M]- 247.15777858 150.3
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

patents stripe