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]+ 243.069506 151.5
[M+Na]+ 265.051448 162.1
[M-H]- 241.054954 155.8
[M+NH4]+ 260.096053 170.5
[M+K]+ 281.025388 156.5
[M+H-H2O]+ 225.059490 144.6
[M+HCOO]- 287.060431 168.5
[M+CH3COO]- 301.076081 193.9
[M+Na-2H]- 263.036896 151.3
[M]+ 242.06168142 149.8
[M]- 242.06277858 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.