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]+ 250.16018 157.8
[M+Na]+ 272.14212 164.0
[M-H]- 248.14562 161.9
[M+NH4]+ 267.18672 176.4
[M+K]+ 288.11606 159.9
[M+H-H2O]+ 232.15016 149.2
[M+HCOO]- 294.15110 174.4
[M+CH3COO]- 308.16675 168.8
[M+Na-2H]- 270.12757 158.7
[M]+ 249.15235 152.9
[M]- 249.15345 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.