CID 3024922

Sr 41872

Structural Information

Molecular Formula
C14H18FNO
SMILES
CC1(CC(N(C1=O)C)CC2=CC=C(C=C2)F)C
InChI
InChI=1S/C14H18FNO/c1-14(2)9-12(16(3)13(14)17)8-10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3
InChIKey
YSTRJUBBSJLDNN-UHFFFAOYSA-N
Compound name
5-[(4-fluorophenyl)methyl]-1,3,3-trimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13724 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.144516 150.7
[M+Na]+ 258.126458 160.3
[M-H]- 234.129964 155.5
[M+NH4]+ 253.171063 171.7
[M+K]+ 274.100398 156.6
[M+H-H2O]+ 218.134500 143.7
[M+HCOO]- 280.135441 171.2
[M+CH3COO]- 294.151091 193.2
[M+Na-2H]- 256.111906 152.2
[M]+ 235.13669142 149.8
[M]- 235.13778858 149.8
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.