CID 3024939

Sr 42001

Structural Information

Molecular Formula
C14H18FNO
SMILES
CCC1(CC(NC1=O)CC2=CC=CC=C2F)C
InChI
InChI=1S/C14H18FNO/c1-3-14(2)9-11(16-13(14)17)8-10-6-4-5-7-12(10)15/h4-7,11H,3,8-9H2,1-2H3,(H,16,17)
InChIKey
NCELJWJKTASLQV-UHFFFAOYSA-N
Compound name
3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.13724 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14452 152.6
[M+Na]+ 258.12646 160.8
[M-H]- 234.12996 155.5
[M+NH4]+ 253.17106 172.5
[M+K]+ 274.10040 156.1
[M+H-H2O]+ 218.13450 145.5
[M+HCOO]- 280.13544 171.5
[M+CH3COO]- 294.15109 189.4
[M+Na-2H]- 256.11191 154.2
[M]+ 235.13669 149.4
[M]- 235.13779 149.4
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