CID 115076454

6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C13H18FNO
SMILES
CC(C)(COC1=CC2=C(CNCC2)C=C1)F
InChI
InChI=1S/C13H18FNO/c1-13(2,14)9-16-12-4-3-11-8-15-6-5-10(11)7-12/h3-4,7,15H,5-6,8-9H2,1-2H3
InChIKey
UKJZHNVBNLXIOU-UHFFFAOYSA-N
Compound name
6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13724 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14452 151.4
[M+Na]+ 246.12646 157.4
[M-H]- 222.12996 151.0
[M+NH4]+ 241.17106 168.7
[M+K]+ 262.10040 153.6
[M+H-H2O]+ 206.13450 144.0
[M+HCOO]- 268.13544 166.3
[M+CH3COO]- 282.15109 187.7
[M+Na-2H]- 244.11191 157.6
[M]+ 223.13669 147.5
[M]- 223.13779 147.5
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.