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 148.7
[M+Na]+ 243.11041 157.1
[M-H]- 219.11391 154.2
[M+NH4]+ 238.15501 167.5
[M+K]+ 259.08435 154.2
[M+H-H2O]+ 203.11845 141.7
[M+HCOO]- 265.11939 171.4
[M+CH3COO]- 279.13504 191.4
[M+Na-2H]- 241.09586 150.0
[M]+ 220.12064 147.6
[M]- 220.12174 147.6
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

No patent data available for this compound.