CID 15698252

8-(prop-2-yn-1-yl)-8-azaspiro[4.5]decane-7,9-dione

Structural Information

Molecular Formula
C12H15NO2
SMILES
C#CCN1C(=O)CC2(CCCC2)CC1=O
InChI
InChI=1S/C12H15NO2/c1-2-7-13-10(14)8-12(9-11(13)15)5-3-4-6-12/h1H,3-9H2
InChIKey
PSFYTQQKPKMRLG-UHFFFAOYSA-N
Compound name
8-prop-2-ynyl-8-azaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.5
[M+Na]+ 228.09950 155.3
[M-H]- 204.10300 147.7
[M+NH4]+ 223.14410 164.8
[M+K]+ 244.07344 148.9
[M+H-H2O]+ 188.10754 133.5
[M+HCOO]- 250.10848 158.5
[M+CH3COO]- 264.12413 191.1
[M+Na-2H]- 226.08495 147.0
[M]+ 205.10973 135.8
[M]- 205.11083 135.8
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

patents stripe