CID 4208154

1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(=O)N1CCN(CC1)C2=CC=CC=C2OC
InChI
InChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-5-3-4-6-13(12)17-2/h3-6H,7-10H2,1-2H3
InChIKey
ZKKQCNJWCNXKGN-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

234.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.4
[M+Na]+ 257.12605 160.2
[M-H]- 233.12955 157.7
[M+NH4]+ 252.17065 169.3
[M+K]+ 273.09999 157.8
[M+H-H2O]+ 217.13409 145.5
[M+HCOO]- 279.13503 171.8
[M+CH3COO]- 293.15068 191.1
[M+Na-2H]- 255.11150 157.4
[M]+ 234.13628 152.1
[M]- 234.13738 152.1
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