CID 54007830

6,9-dioxa-2-azaspiro[4.5]decane hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CNCC12COCCO2
InChI
InChI=1S/C7H13NO2/c1-2-8-5-7(1)6-9-3-4-10-7/h8H,1-6H2
InChIKey
KQDJCXPSLKEESD-UHFFFAOYSA-N
Compound name
6,9-dioxa-2-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

143.09464 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 129.1
[M+Na]+ 166.083858 133.7
[M-H]- 142.087364 132.1
[M+NH4]+ 161.128463 149.2
[M+K]+ 182.057798 134.7
[M+H-H2O]+ 126.091900 123.3
[M+HCOO]- 188.092841 145.0
[M+CH3COO]- 202.108491 141.4
[M+Na-2H]- 164.069306 136.6
[M]+ 143.09409142 122.6
[M]- 143.09518858 122.6
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