CID 65585150

1,8-dioxa-3-azaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1COCCC12CNC(=O)O2
InChI
InChI=1S/C7H11NO3/c9-6-8-5-7(11-6)1-3-10-4-2-7/h1-5H2,(H,8,9)
InChIKey
GVOZDJDCDYBBAW-UHFFFAOYSA-N
Compound name
1,8-dioxa-3-azaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

157.0739 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 130.6
[M+Na]+ 180.06312 136.5
[M-H]- 156.06662 134.1
[M+NH4]+ 175.10772 150.3
[M+K]+ 196.03706 137.3
[M+H-H2O]+ 140.07116 125.1
[M+HCOO]- 202.07210 146.9
[M+CH3COO]- 216.08775 168.1
[M+Na-2H]- 178.04857 137.7
[M]+ 157.07335 125.3
[M]- 157.07445 125.3
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