CID 3040009

Piperazine, 1-acetyl-4-(6,7,8,9-tetrahydro-5h-benzocyclohepten-2-yl)-

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC(=O)N1CCN(CC1)C2=CC3=C(CCCCC3)C=C2
InChI
InChI=1S/C17H24N2O/c1-14(20)18-9-11-19(12-10-18)17-8-7-15-5-3-2-4-6-16(15)13-17/h7-8,13H,2-6,9-12H2,1H3
InChIKey
SMUSWROSXDRZNJ-UHFFFAOYSA-N
Compound name
1-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 164.1
[M+Na]+ 295.178088 166.6
[M-H]- 271.181594 168.3
[M+NH4]+ 290.222693 177.2
[M+K]+ 311.152028 166.4
[M+H-H2O]+ 255.186130 155.1
[M+HCOO]- 317.187071 176.6
[M+CH3COO]- 331.202721 172.7
[M+Na-2H]- 293.163536 165.7
[M]+ 272.18832142 154.9
[M]- 272.18941858 154.9
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

No patent data available for this compound.