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]+ 248.16451 156.9
[M+Na]+ 270.14645 159.8
[M-H]- 246.14995 160.4
[M+NH4]+ 265.19105 170.9
[M+K]+ 286.12039 156.9
[M+H-H2O]+ 230.15449 148.2
[M+HCOO]- 292.15543 170.1
[M+CH3COO]- 306.17108 166.3
[M+Na-2H]- 268.13190 162.0
[M]+ 247.15668 150.3
[M]- 247.15778 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