CID 83679916

1,4-dioxa-9-azaspiro[5.5]undecane hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CNCCC12COCCO2
InChI
InChI=1S/C8H15NO2/c1-3-9-4-2-8(1)7-10-5-6-11-8/h9H,1-7H2
InChIKey
RORXKSRVCJTFQM-UHFFFAOYSA-N
Compound name
1,4-dioxa-9-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

157.11028 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.0
[M+Na]+ 180.09950 137.3
[M-H]- 156.10300 136.7
[M+NH4]+ 175.14410 151.6
[M+K]+ 196.07344 138.2
[M+H-H2O]+ 140.10754 127.2
[M+HCOO]- 202.10848 147.4
[M+CH3COO]- 216.12413 145.1
[M+Na-2H]- 178.08495 142.6
[M]+ 157.10973 125.8
[M]- 157.11083 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

literature stripe

Patent stripe

patents stripe