CID 771959

92114-37-9

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CN(CCN1)C(=O)COC2=CC=CC=C2
InChI
InChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)10-16-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKey
XZCPXUCNSORUCQ-UHFFFAOYSA-N
Compound name
2-phenoxy-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

97
Patents

220.12119 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.5
[M+Na]+ 243.11041 154.3
[M-H]- 219.11391 151.7
[M+NH4]+ 238.15501 164.5
[M+K]+ 259.08435 151.3
[M+H-H2O]+ 203.11845 141.5
[M+HCOO]- 265.11939 166.6
[M+CH3COO]- 279.13504 183.3
[M+Na-2H]- 241.09586 155.0
[M]+ 220.12064 145.1
[M]- 220.12174 145.1
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