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]+ 236.14452 150.7
[M+Na]+ 258.12646 160.3
[M-H]- 234.12996 155.5
[M+NH4]+ 253.17106 171.7
[M+K]+ 274.10040 156.6
[M+H-H2O]+ 218.13450 143.7
[M+HCOO]- 280.13544 171.2
[M+CH3COO]- 294.15109 193.2
[M+Na-2H]- 256.11191 152.2
[M]+ 235.13669 149.8
[M]- 235.13779 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.