CID 99804

74039-16-0

Structural Information

Molecular Formula
C16H22N2O3
SMILES
C1COCCN1CCCN2C(=O)C3C4CC(C3C2=O)C=C4
InChI
InChI=1S/C16H22N2O3/c19-15-13-11-2-3-12(10-11)14(13)16(20)18(15)5-1-4-17-6-8-21-9-7-17/h2-3,11-14H,1,4-10H2
InChIKey
OHMSTDNNJPGJAL-UHFFFAOYSA-N
Compound name
4-(3-morpholin-4-ylpropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 169.2
[M+Na]+ 313.15228 175.3
[M-H]- 289.15578 173.6
[M+NH4]+ 308.19688 188.5
[M+K]+ 329.12622 172.7
[M+H-H2O]+ 273.16032 163.4
[M+HCOO]- 335.16126 183.2
[M+CH3COO]- 349.17691 179.6
[M+Na-2H]- 311.13773 166.2
[M]+ 290.16251 168.4
[M]- 290.16361 168.4
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.