CID 86277210

1,9-dioxa-4-azaspiro[5.5]undecan-3-one

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1COCCC12CNC(=O)CO2
InChI
InChI=1S/C8H13NO3/c10-7-5-12-8(6-9-7)1-3-11-4-2-8/h1-6H2,(H,9,10)
InChIKey
RAVCGXRMQNLJHE-UHFFFAOYSA-N
Compound name
1,9-dioxa-4-azaspiro[5.5]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 135.6
[M+Na]+ 194.078758 140.2
[M-H]- 170.082264 138.7
[M+NH4]+ 189.123363 152.9
[M+K]+ 210.052698 141.0
[M+H-H2O]+ 154.086800 129.1
[M+HCOO]- 216.087741 149.4
[M+CH3COO]- 230.103391 171.6
[M+Na-2H]- 192.064206 143.7
[M]+ 171.08899142 128.6
[M]- 171.09008858 128.6
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.