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 144.0
[M+Na]+ 229.13112 147.9
[M-H]- 205.13462 149.9
[M+NH4]+ 224.17572 161.8
[M+K]+ 245.10506 151.7
[M+H-H2O]+ 189.13916 137.7
[M+HCOO]- 251.14010 169.4
[M+CH3COO]- 265.15575 196.8
[M+Na-2H]- 227.11657 149.4
[M]+ 206.14135 142.6
[M]- 206.14245 142.6
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.