CID 33551

26586-55-0

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C
InChI
InChI=1S/C13H18N2O/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3
InChIKey
IRIZGAMYKHTLKS-UHFFFAOYSA-N
Compound name
1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

206
Patents

218.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 151.0
[M+Na]+ 241.131118 156.9
[M-H]- 217.134624 154.3
[M+NH4]+ 236.175723 166.5
[M+K]+ 257.105058 153.9
[M+H-H2O]+ 201.139160 142.3
[M+HCOO]- 263.140101 168.2
[M+CH3COO]- 277.155751 189.7
[M+Na-2H]- 239.116566 154.0
[M]+ 218.14135142 147.3
[M]- 218.14244858 147.3
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