CID 12954114

5052-96-0

Structural Information

Molecular Formula
C7H12N2O2
SMILES
C1CNCCC12CNC(=O)O2
InChI
InChI=1S/C7H12N2O2/c10-6-9-5-7(11-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)
InChIKey
LQGLKWIXYWZNGB-UHFFFAOYSA-N
Compound name
1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

802
Patents

156.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 134.8
[M+Na]+ 179.07909 143.6
[M+NH4]+ 174.12369 143.6
[M+K]+ 195.05303 139.3
[M-H]- 155.08259 135.9
[M+Na-2H]- 177.06454 138.9
[M]+ 156.08932 136.1
[M]- 156.09042 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe