CID 28953

2-(beta-morpholinoethylamino)tropone dihydrochloride

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1COCCN1CCNC2=CC=CC=CC2=O
InChI
InChI=1S/C13H18N2O2/c16-13-5-3-1-2-4-12(13)14-6-7-15-8-10-17-11-9-15/h1-5H,6-11H2,(H,14,16)
InChIKey
COUFVEYAHIOEMB-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethylamino)cyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 151.3
[M+Na]+ 257.126048 154.0
[M-H]- 233.129554 157.1
[M+NH4]+ 252.170653 164.5
[M+K]+ 273.099988 156.9
[M+H-H2O]+ 217.134090 143.1
[M+HCOO]- 279.135031 170.4
[M+CH3COO]- 293.150681 193.1
[M+Na-2H]- 255.111496 156.9
[M]+ 234.13628142 145.6
[M]- 234.13737858 145.6
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.