CID 3024930

Sr 41881

Structural Information

Molecular Formula
C12H14FNO
SMILES
CC1CC(NC1=O)CC2=CC=CC=C2F
InChI
InChI=1S/C12H14FNO/c1-8-6-10(14-12(8)15)7-9-4-2-3-5-11(9)13/h2-5,8,10H,6-7H2,1H3,(H,14,15)
InChIKey
ZXPDGONCWLTSQP-UHFFFAOYSA-N
Compound name
5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10594 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11322 144.6
[M+Na]+ 230.09516 152.7
[M-H]- 206.09866 147.5
[M+NH4]+ 225.13976 163.6
[M+K]+ 246.06910 148.3
[M+H-H2O]+ 190.10320 137.1
[M+HCOO]- 252.10414 164.2
[M+CH3COO]- 266.11979 183.9
[M+Na-2H]- 228.08061 146.1
[M]+ 207.10539 140.4
[M]- 207.10649 140.4
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

No patent data available for this compound.