CID 21404567

56915-77-6

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC(=O)C1=CC=CC=C1N2CCN(CC2)C
InChI
InChI=1S/C13H18N2O/c1-11(16)12-5-3-4-6-13(12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3
InChIKey
CQBURUJINHGLAC-UHFFFAOYSA-N
Compound name
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

218.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 151.0
[M+Na]+ 241.13112 156.9
[M-H]- 217.13462 154.3
[M+NH4]+ 236.17572 166.5
[M+K]+ 257.10506 153.9
[M+H-H2O]+ 201.13916 142.3
[M+HCOO]- 263.14010 168.2
[M+CH3COO]- 277.15575 189.7
[M+Na-2H]- 239.11657 154.0
[M]+ 218.14135 147.3
[M]- 218.14245 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

No literature data available for this compound.

Patent stripe

patents stripe