CID 115076406

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

Structural Information

Molecular Formula
C14H19NO2
SMILES
C1COCC1COC2=CC3=C(CNCC3)C=C2
InChI
InChI=1S/C14H19NO2/c1-2-14(17-10-11-4-6-16-9-11)7-12-3-5-15-8-13(1)12/h1-2,7,11,15H,3-6,8-10H2
InChIKey
GRAGSIQJYQHDFD-UHFFFAOYSA-N
Compound name
6-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 152.5
[M+Na]+ 256.13081 156.8
[M-H]- 232.13431 156.7
[M+NH4]+ 251.17541 169.2
[M+K]+ 272.10475 154.2
[M+H-H2O]+ 216.13885 144.9
[M+HCOO]- 278.13979 168.4
[M+CH3COO]- 292.15544 163.2
[M+Na-2H]- 254.11626 156.4
[M]+ 233.14104 147.9
[M]- 233.14214 147.9
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.