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

124
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 152.1
[M+Na]+ 241.13112 156.6
[M-H]- 217.13462 153.6
[M+NH4]+ 236.17572 166.6
[M+K]+ 257.10506 152.7
[M+H-H2O]+ 201.13916 143.4
[M+HCOO]- 263.14010 167.7
[M+CH3COO]- 277.15575 185.3
[M+Na-2H]- 239.11657 155.3
[M]+ 218.14135 146.0
[M]- 218.14245 146.0
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