CID 43143

59921-93-6

Structural Information

Molecular Formula
C16H22FNO
SMILES
CC1CCC(N1CCCC(=O)C2=CC=C(C=C2)F)C
InChI
InChI=1S/C16H22FNO/c1-12-5-6-13(2)18(12)11-3-4-16(19)14-7-9-15(17)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3
InChIKey
AZEQDGRMPFBKAF-UHFFFAOYSA-N
Compound name
4-(2,5-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.16855 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.175826 162.7
[M+Na]+ 286.157768 169.2
[M-H]- 262.161274 166.3
[M+NH4]+ 281.202373 180.0
[M+K]+ 302.131708 165.2
[M+H-H2O]+ 246.165810 154.3
[M+HCOO]- 308.166751 181.4
[M+CH3COO]- 322.182401 199.4
[M+Na-2H]- 284.143216 161.2
[M]+ 263.16800142 161.1
[M]- 263.16909858 161.1
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.