CID 910270

2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CCN(C1)C(=O)COC2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKey
FYNNGWZCHCSIQA-UHFFFAOYSA-N
Compound name
2-phenoxy-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

205.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 146.2
[M+Na]+ 228.099498 151.5
[M-H]- 204.103004 150.8
[M+NH4]+ 223.144103 164.9
[M+K]+ 244.073438 149.6
[M+H-H2O]+ 188.107540 138.5
[M+HCOO]- 250.108481 167.5
[M+CH3COO]- 264.124131 182.6
[M+Na-2H]- 226.084946 149.5
[M]+ 205.10973142 144.4
[M]- 205.11082858 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe