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]+ 224.144516 151.4
[M+Na]+ 246.126458 157.4
[M-H]- 222.129964 151.0
[M+NH4]+ 241.171063 168.7
[M+K]+ 262.100398 153.6
[M+H-H2O]+ 206.134500 144.0
[M+HCOO]- 268.135441 166.3
[M+CH3COO]- 282.151091 187.7
[M+Na-2H]- 244.111906 157.6
[M]+ 223.13669142 147.5
[M]- 223.13778858 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.