CID 13062329

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

Structural Information

Molecular Formula
C11H14N2O2
SMILES
COC1=C(C=CC(=C1)N)N2CCCC2=O
InChI
InChI=1S/C11H14N2O2/c1-15-10-7-8(12)4-5-9(10)13-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3
InChIKey
UYVSSZOWTACRLF-UHFFFAOYSA-N
Compound name
1-(4-amino-2-methoxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

206.10553 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 144.2
[M+Na]+ 229.094748 152.1
[M-H]- 205.098254 149.5
[M+NH4]+ 224.139353 163.3
[M+K]+ 245.068688 149.4
[M+H-H2O]+ 189.102790 137.0
[M+HCOO]- 251.103731 167.2
[M+CH3COO]- 265.119381 187.1
[M+Na-2H]- 227.080196 146.7
[M]+ 206.10498142 142.3
[M]- 206.10607858 142.3
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