CID 95704

Nsc 30290

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CCN(CC)CCN1C(=O)C2C3CC(C2C1=O)C=C3
InChI
InChI=1S/C15H22N2O2/c1-3-16(4-2)7-8-17-14(18)12-10-5-6-11(9-10)13(12)15(17)19/h5-6,10-13H,3-4,7-9H2,1-2H3
InChIKey
IDUJFPXENVIRDQ-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)ethyl]-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

262.16812 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 165.3
[M+Na]+ 285.15734 172.8
[M-H]- 261.16084 169.4
[M+NH4]+ 280.20194 189.3
[M+K]+ 301.13128 170.3
[M+H-H2O]+ 245.16538 160.5
[M+HCOO]- 307.16632 186.0
[M+CH3COO]- 321.18197 205.3
[M+Na-2H]- 283.14279 163.8
[M]+ 262.16757 168.8
[M]- 262.16867 168.8
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.