CID 28957

2-(3-dimethylaminopropylamino)tropone dihydrochloride

Structural Information

Molecular Formula
C12H18N2O
SMILES
CN(C)CCCNC1=CC=CC=CC1=O
InChI
InChI=1S/C12H18N2O/c1-14(2)10-6-9-13-11-7-4-3-5-8-12(11)15/h3-5,7-8H,6,9-10H2,1-2H3,(H,13,15)
InChIKey
AESNJAUYRGTYAL-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)propylamino]cyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 145.5
[M+Na]+ 229.13112 154.4
[M+NH4]+ 224.17572 152.7
[M+K]+ 245.10506 149.6
[M-H]- 205.13462 148.4
[M+Na-2H]- 227.11657 152.0
[M]+ 206.14135 147.4
[M]- 206.14245 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.