CID 95328757

2126143-99-3

Structural Information

Molecular Formula
C11H12F2N2O
SMILES
CN1[C@@H]([C@H](CC1=O)N)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C11H12F2N2O/c1-15-10(16)5-9(14)11(15)6-2-3-7(12)8(13)4-6/h2-4,9,11H,5,14H2,1H3/t9-,11+/m0/s1
InChIKey
BBCYIDHKKXBMSZ-GXSJLCMTSA-N
Compound name
(4S,5R)-4-amino-5-(3,4-difluorophenyl)-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09177 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09905 146.5
[M+Na]+ 249.08099 156.4
[M-H]- 225.08449 149.7
[M+NH4]+ 244.12559 165.3
[M+K]+ 265.05493 152.3
[M+H-H2O]+ 209.08903 138.1
[M+HCOO]- 271.08997 167.1
[M+CH3COO]- 285.10562 192.9
[M+Na-2H]- 247.06644 146.3
[M]+ 226.09122 141.7
[M]- 226.09232 141.7
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.