CID 65122501

1,8-dioxa-4-azaspiro[5.5]undecane

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CC2(CNCCO2)COC1
InChI
InChI=1S/C8H15NO2/c1-2-8(7-10-4-1)6-9-3-5-11-8/h9H,1-7H2
InChIKey
VLZUSDJYVDSYJG-UHFFFAOYSA-N
Compound name
1,8-dioxa-4-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.11028 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 134.0
[M+Na]+ 180.099498 137.3
[M-H]- 156.103004 136.7
[M+NH4]+ 175.144103 151.6
[M+K]+ 196.073438 138.2
[M+H-H2O]+ 140.107540 127.2
[M+HCOO]- 202.108481 147.4
[M+CH3COO]- 216.124131 145.1
[M+Na-2H]- 178.084946 142.6
[M]+ 157.10973142 125.8
[M]- 157.11082858 125.8
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