CID 165361764

9wef9eek7q

Structural Information

Molecular Formula
C16H22FNO
SMILES
CC(C)CC(C(=O)C1=CC=C(C=C1)F)N2CCCC2
InChI
InChI=1S/C16H22FNO/c1-12(2)11-15(18-9-3-4-10-18)16(19)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKey
JLQOIJCWXCXXQE-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-methyl-2-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.16855 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.175826 163.9
[M+Na]+ 286.157768 167.9
[M-H]- 262.161274 166.9
[M+NH4]+ 281.202373 180.4
[M+K]+ 302.131708 164.9
[M+H-H2O]+ 246.165810 155.2
[M+HCOO]- 308.166751 180.5
[M+CH3COO]- 322.182401 198.8
[M+Na-2H]- 284.143216 161.4
[M]+ 263.16800142 160.2
[M]- 263.16909858 160.2
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.