CID 2760350

3-phenoxy-1-(piperazin-1-yl)propan-1-one

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CN(CCN1)C(=O)CCOC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O2/c16-13(15-9-7-14-8-10-15)6-11-17-12-4-2-1-3-5-12/h1-5,14H,6-11H2
InChIKey
YNPZXYYUXFHWNI-UHFFFAOYSA-N
Compound name
3-phenoxy-1-piperazin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.13683 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.9
[M+Na]+ 257.12605 158.3
[M-H]- 233.12955 155.9
[M+NH4]+ 252.17065 168.3
[M+K]+ 273.09999 155.0
[M+H-H2O]+ 217.13409 145.8
[M+HCOO]- 279.13503 170.7
[M+CH3COO]- 293.15068 186.3
[M+Na-2H]- 255.11150 158.9
[M]+ 234.13628 149.9
[M]- 234.13738 149.9
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

patents stripe