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]+ 221.164836 148.4
[M+Na]+ 243.146778 151.9
[M-H]- 219.150284 154.1
[M+NH4]+ 238.191383 165.8
[M+K]+ 259.120718 155.6
[M+H-H2O]+ 203.154820 141.9
[M+HCOO]- 265.155761 173.6
[M+CH3COO]- 279.171411 199.7
[M+Na-2H]- 241.132226 153.3
[M]+ 220.15701142 147.4
[M]- 220.15810858 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.