CID 5342173

105919-40-2

Structural Information

Molecular Formula
C15H18FNO
SMILES
CC1CCCCN1C(=O)/C=C/C2=CC=C(C=C2)F
InChI
InChI=1S/C15H18FNO/c1-12-4-2-3-11-17(12)15(18)10-7-13-5-8-14(16)9-6-13/h5-10,12H,2-4,11H2,1H3/b10-7+
InChIKey
UIMAWPSUTFCVGO-JXMROGBWSA-N
Compound name
(E)-3-(4-fluorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.13724 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14452 157.5
[M+Na]+ 270.12646 163.0
[M-H]- 246.12996 160.6
[M+NH4]+ 265.17106 173.3
[M+K]+ 286.10040 158.7
[M+H-H2O]+ 230.13450 148.6
[M+HCOO]- 292.13544 174.5
[M+CH3COO]- 306.15109 193.5
[M+Na-2H]- 268.11191 158.8
[M]+ 247.13669 152.1
[M]- 247.13779 152.1
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

patents stripe