CID 13062318

1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

No literature data available for this compound.

Patent stripe

patents stripe