CID 29734

Al-499

Structural Information

Molecular Formula
C15H20FNO2
SMILES
C1CN(CCC1O)CCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H20FNO2/c16-13-5-3-12(4-6-13)15(19)2-1-9-17-10-7-14(18)8-11-17/h3-6,14,18H,1-2,7-11H2
InChIKey
OJTNFBDLVWOHKM-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

265.1478 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15508 162.0
[M+Na]+ 288.13702 166.5
[M-H]- 264.14052 163.5
[M+NH4]+ 283.18162 176.1
[M+K]+ 304.11096 162.4
[M+H-H2O]+ 248.14506 153.0
[M+HCOO]- 310.14600 177.4
[M+CH3COO]- 324.16165 195.2
[M+Na-2H]- 286.12247 162.8
[M]+ 265.14725 157.0
[M]- 265.14835 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe