CID 3049753

1-(4-fluorophenyl)-2-methyl-3-(1-pyrrolidinyl)-2-propen-1-one

Structural Information

Molecular Formula
C14H16FNO
SMILES
C/C(=C\N1CCCC1)/C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H16FNO/c1-11(10-16-8-2-3-9-16)14(17)12-4-6-13(15)7-5-12/h4-7,10H,2-3,8-9H2,1H3/b11-10+
InChIKey
VJOSWZGPIYFFSB-ZHACJKMWSA-N
Compound name
(E)-1-(4-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1216 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12888 153.7
[M+Na]+ 256.11082 159.2
[M-H]- 232.11432 157.1
[M+NH4]+ 251.15542 171.5
[M+K]+ 272.08476 155.6
[M+H-H2O]+ 216.11886 145.3
[M+HCOO]- 278.11980 172.2
[M+CH3COO]- 292.13545 190.4
[M+Na-2H]- 254.09627 153.4
[M]+ 233.12105 149.2
[M]- 233.12215 149.2
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.