CID 83827428

2-methyl-2-phenylpyrrolidin-3-one

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1(C(=O)CCN1)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c1-11(10(13)7-8-12-11)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3
InChIKey
WGFIKJVWHOMATF-UHFFFAOYSA-N
Compound name
2-methyl-2-phenylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 137.8
[M+Na]+ 198.088938 145.4
[M-H]- 174.092444 141.9
[M+NH4]+ 193.133543 159.6
[M+K]+ 214.062878 141.9
[M+H-H2O]+ 158.096980 131.6
[M+HCOO]- 220.097921 158.8
[M+CH3COO]- 234.113571 175.4
[M+Na-2H]- 196.074386 142.8
[M]+ 175.09917142 133.8
[M]- 175.10026858 133.8
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.