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]+ 221.128466 148.7
[M+Na]+ 243.110408 157.1
[M-H]- 219.113914 154.2
[M+NH4]+ 238.155013 167.5
[M+K]+ 259.084348 154.2
[M+H-H2O]+ 203.118450 141.7
[M+HCOO]- 265.119391 171.4
[M+CH3COO]- 279.135041 191.4
[M+Na-2H]- 241.095856 150.0
[M]+ 220.12064142 147.6
[M]- 220.12173858 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.