CID 28955

2-(beta-piperidinoethylamino)tropone dihydrochloride

Structural Information

Molecular Formula
C14H20N2O
SMILES
C1CCN(CC1)CCNC2=CC=CC=CC2=O
InChI
InChI=1S/C14H20N2O/c17-14-8-4-1-3-7-13(14)15-9-12-16-10-5-2-6-11-16/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,17)
InChIKey
KSWLXSBRQOSWJN-UHFFFAOYSA-N
Compound name
2-(2-piperidin-1-ylethylamino)cyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 152.5
[M+Na]+ 255.14678 154.8
[M-H]- 231.15028 157.5
[M+NH4]+ 250.19138 167.1
[M+K]+ 271.12072 156.0
[M+H-H2O]+ 215.15482 144.4
[M+HCOO]- 277.15576 171.9
[M+CH3COO]- 291.17141 193.9
[M+Na-2H]- 253.13223 156.8
[M]+ 232.15701 145.3
[M]- 232.15811 145.3
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

No patent data available for this compound.