CID 28949

2-(beta-diethylaminoethylamino)tropone dihydrochloride

Structural Information

Molecular Formula
C13H20N2O
SMILES
CCN(CC)CCNC1=CC=CC=CC1=O
InChI
InChI=1S/C13H20N2O/c1-3-15(4-2)11-10-14-12-8-6-5-7-9-13(12)16/h5-9H,3-4,10-11H2,1-2H3,(H,14,16)
InChIKey
XHZZHMCFKIQWRX-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 148.4
[M+Na]+ 243.14678 151.9
[M-H]- 219.15028 154.1
[M+NH4]+ 238.19138 165.8
[M+K]+ 259.12072 155.6
[M+H-H2O]+ 203.15482 141.9
[M+HCOO]- 265.15576 173.6
[M+CH3COO]- 279.17141 199.7
[M+Na-2H]- 241.13223 153.3
[M]+ 220.15701 147.4
[M]- 220.15811 147.4
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.