CID 64266194

3-(4-amino-3-methylphenoxy)-1-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC1=C(C=CC(=C1)OC2CCN(C2=O)C)N
InChI
InChI=1S/C12H16N2O2/c1-8-7-9(3-4-10(8)13)16-11-5-6-14(2)12(11)15/h3-4,7,11H,5-6,13H2,1-2H3
InChIKey
CEMVCEDCNFHYKG-UHFFFAOYSA-N
Compound name
3-(4-amino-3-methylphenoxy)-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.8
[M+Na]+ 243.11041 161.1
[M+NH4]+ 238.15501 157.5
[M+K]+ 259.08435 157.2
[M-H]- 219.11391 152.8
[M+Na-2H]- 241.09586 155.2
[M]+ 220.12064 152.0
[M]- 220.12174 152.0
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.

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No patent data available for this compound.