CID 3048232

63886-31-7

Structural Information

Molecular Formula
C15H20FNO
SMILES
COC1=C2CCCC(C2=C(C=C1)F)N3CCCC3
InChI
InChI=1S/C15H20FNO/c1-18-14-8-7-12(16)15-11(14)5-4-6-13(15)17-9-2-3-10-17/h7-8,13H,2-6,9-10H2,1H3
InChIKey
YQYZACOASQKEBV-UHFFFAOYSA-N
Compound name
1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1529 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.160176 157.8
[M+Na]+ 272.142118 164.0
[M-H]- 248.145624 161.9
[M+NH4]+ 267.186723 176.4
[M+K]+ 288.116058 159.9
[M+H-H2O]+ 232.150160 149.2
[M+HCOO]- 294.151101 174.4
[M+CH3COO]- 308.166751 168.8
[M+Na-2H]- 270.127566 158.7
[M]+ 249.15235142 152.9
[M]- 249.15344858 152.9
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.