CID 16777273

2-(3-aminophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CCN(C1)C(=O)COC2=CC=CC(=C2)N
InChI
InChI=1S/C12H16N2O2/c13-10-4-3-5-11(8-10)16-9-12(15)14-6-1-2-7-14/h3-5,8H,1-2,6-7,9,13H2
InChIKey
UIQIQMDWGKDTMP-UHFFFAOYSA-N
Compound name
2-(3-aminophenoxy)-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.6
[M+Na]+ 243.11041 154.9
[M-H]- 219.11391 154.0
[M+NH4]+ 238.15501 167.5
[M+K]+ 259.08435 152.6
[M+H-H2O]+ 203.11845 141.8
[M+HCOO]- 265.11939 171.3
[M+CH3COO]- 279.13504 188.0
[M+Na-2H]- 241.09586 151.7
[M]+ 220.12064 146.5
[M]- 220.12174 146.5
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.