CID 12448963

1-methyl-4-phenylpyrrolidin-2-one

Structural Information

Molecular Formula
C11H13NO
SMILES
CN1CC(CC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c1-12-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey
NJSMSOSBMMZSSB-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
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 136.9
[M+Na]+ 198.088938 144.9
[M-H]- 174.092444 142.4
[M+NH4]+ 193.133543 157.7
[M+K]+ 214.062878 142.2
[M+H-H2O]+ 158.096980 130.1
[M+HCOO]- 220.097921 159.4
[M+CH3COO]- 234.113571 179.6
[M+Na-2H]- 196.074386 140.7
[M]+ 175.09917142 134.9
[M]- 175.10026858 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe