CID 249324

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

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC1=C(C=CC(=C1)N)N2CCCC2=O
InChI
InChI=1S/C11H14N2O/c1-8-7-9(12)4-5-10(8)13-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3
InChIKey
QILAIGZHEOJTNQ-UHFFFAOYSA-N
Compound name
1-(4-amino-2-methylphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

190.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 141.3
[M+Na]+ 213.099828 149.3
[M-H]- 189.103334 146.6
[M+NH4]+ 208.144433 161.1
[M+K]+ 229.073768 146.1
[M+H-H2O]+ 173.107870 134.3
[M+HCOO]- 235.108811 164.1
[M+CH3COO]- 249.124461 185.0
[M+Na-2H]- 211.085276 143.7
[M]+ 190.11006142 138.0
[M]- 190.11115858 138.0
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