CID 95328761

Rac-(4r,5s)-4-amino-5-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula
C11H12ClFN2O
SMILES
CN1[C@@H]([C@H](CC1=O)N)C2=CC(=C(C=C2)Cl)F
InChI
InChI=1S/C11H12ClFN2O/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
DWDALBJLKHZRND-GXSJLCMTSA-N
Compound name
(4S,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.06223 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06951 151.5
[M+Na]+ 265.05145 162.1
[M-H]- 241.05495 155.8
[M+NH4]+ 260.09605 170.5
[M+K]+ 281.02539 156.5
[M+H-H2O]+ 225.05949 144.6
[M+HCOO]- 287.06043 168.5
[M+CH3COO]- 301.07608 193.9
[M+Na-2H]- 263.03690 151.3
[M]+ 242.06168 149.8
[M]- 242.06278 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.