CID 21935609

3-amino-1-(4-methylphenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC1=CC=C(C=C1)N2CCC(C2=O)N
InChI
InChI=1S/C11H14N2O/c1-8-2-4-9(5-3-8)13-7-6-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3
InChIKey
DDDBJBMOAQKYFZ-UHFFFAOYSA-N
Compound name
3-amino-1-(4-methylphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 142.4
[M+Na]+ 213.09983 153.9
[M+NH4]+ 208.14443 150.8
[M+K]+ 229.07377 149.5
[M-H]- 189.10333 145.9
[M+Na-2H]- 211.08528 148.7
[M]+ 190.11006 144.8
[M]- 190.11116 144.8
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

patents stripe