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

35
Patents

234.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.4
[M+Na]+ 257.126048 160.2
[M-H]- 233.129554 157.7
[M+NH4]+ 252.170653 169.3
[M+K]+ 273.099988 157.8
[M+H-H2O]+ 217.134090 145.5
[M+HCOO]- 279.135031 171.8
[M+CH3COO]- 293.150681 191.1
[M+Na-2H]- 255.111496 157.4
[M]+ 234.13628142 152.1
[M]- 234.13737858 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