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]+ 273.19615 164.1
[M+Na]+ 295.17809 166.6
[M-H]- 271.18159 168.3
[M+NH4]+ 290.22269 177.2
[M+K]+ 311.15203 166.4
[M+H-H2O]+ 255.18613 155.1
[M+HCOO]- 317.18707 176.6
[M+CH3COO]- 331.20272 172.7
[M+Na-2H]- 293.16354 165.7
[M]+ 272.18832 154.9
[M]- 272.18942 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.