CID 6489231

1-(4-ethylbenzoyl)piperazine hydrochloride

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCC1=CC=C(C=C1)C(=O)N2CCNCC2
InChI
InChI=1S/C13H18N2O/c1-2-11-3-5-12(6-4-11)13(16)15-9-7-14-8-10-15/h3-6,14H,2,7-10H2,1H3
InChIKey
FPYQUYNXGBEELR-UHFFFAOYSA-N
Compound name
(4-ethylphenyl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
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 152.5
[M+Na]+ 241.13112 164.5
[M+NH4]+ 236.17572 160.2
[M+K]+ 257.10506 157.8
[M-H]- 217.13462 155.0
[M+Na-2H]- 239.11657 159.1
[M]+ 218.14135 154.7
[M]- 218.14245 154.7
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