CID 66109324

4-(4-chlorophenyl)-4-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C11H12ClNO
SMILES
CC1(CC(=O)NC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H12ClNO/c1-11(6-10(14)13-7-11)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKey
CXMBMJSSMWCTCP-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-4-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06075 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06803 143.8
[M+Na]+ 232.04997 157.0
[M+NH4]+ 227.09457 154.2
[M+K]+ 248.02391 149.5
[M-H]- 208.05347 146.7
[M+Na-2H]- 230.03542 152.2
[M]+ 209.06020 146.9
[M]- 209.06130 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.