CID 56331

2-azaspiro(4.4)nonane-1,3-dione, 2-propyl-

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCCN1C(=O)CC2(C1=O)CCCC2
InChI
InChI=1S/C11H17NO2/c1-2-7-12-9(13)8-11(10(12)14)5-3-4-6-11/h2-8H2,1H3
InChIKey
VGYYCLCAFGFXBE-UHFFFAOYSA-N
Compound name
2-propyl-2-azaspiro[4.4]nonane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.8
[M+Na]+ 218.115148 152.3
[M-H]- 194.118654 149.0
[M+NH4]+ 213.159753 168.8
[M+K]+ 234.089088 150.1
[M+H-H2O]+ 178.123190 139.5
[M+HCOO]- 240.124131 165.3
[M+CH3COO]- 254.139781 181.9
[M+Na-2H]- 216.100596 145.9
[M]+ 195.12538142 142.4
[M]- 195.12647858 142.4
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.