CID 56351

Brn 1460538

Structural Information

Molecular Formula
C13H19NO2
SMILES
C=CCN1C(=O)CC2(C1=O)CCCCCC2
InChI
InChI=1S/C13H19NO2/c1-2-9-14-11(15)10-13(12(14)16)7-5-3-4-6-8-13/h2H,1,3-10H2
InChIKey
LSESKYDWAOIWOK-UHFFFAOYSA-N
Compound name
2-prop-2-enyl-2-azaspiro[4.6]undecane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 148.4
[M+Na]+ 244.13081 152.7
[M-H]- 220.13431 153.0
[M+NH4]+ 239.17541 167.8
[M+K]+ 260.10475 152.5
[M+H-H2O]+ 204.13885 142.0
[M+HCOO]- 266.13979 165.5
[M+CH3COO]- 280.15544 188.5
[M+Na-2H]- 242.11626 149.6
[M]+ 221.14104 140.7
[M]- 221.14214 140.7
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.