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]+ 221.128466 149.6
[M+Na]+ 243.110408 154.9
[M-H]- 219.113914 154.0
[M+NH4]+ 238.155013 167.5
[M+K]+ 259.084348 152.6
[M+H-H2O]+ 203.118450 141.8
[M+HCOO]- 265.119391 171.3
[M+CH3COO]- 279.135041 188.0
[M+Na-2H]- 241.095856 151.7
[M]+ 220.12064142 146.5
[M]- 220.12173858 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.