CID 880785

426235-15-6

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C
InChI
InChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3
InChIKey
GIIIJZOPGUFGBF-UHFFFAOYSA-N
Compound name
2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

248.15248 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 159.0
[M+Na]+ 271.14170 164.3
[M-H]- 247.14520 162.0
[M+NH4]+ 266.18630 173.2
[M+K]+ 287.11564 161.7
[M+H-H2O]+ 231.14974 149.9
[M+HCOO]- 293.15068 176.0
[M+CH3COO]- 307.16633 194.1
[M+Na-2H]- 269.12715 161.4
[M]+ 248.15193 157.0
[M]- 248.15303 157.0
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