CID 67435

1,4-dioxa-8-azaspiro[4.5]decane

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CNCCC12OCCO2
InChI
InChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2
InChIKey
KPKNTUUIEVXMOH-UHFFFAOYSA-N
Compound name
1,4-dioxa-8-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8898
Patents

143.09464 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 129.1
[M+Na]+ 166.08386 133.7
[M-H]- 142.08736 132.1
[M+NH4]+ 161.12846 149.2
[M+K]+ 182.05780 134.7
[M+H-H2O]+ 126.09190 123.3
[M+HCOO]- 188.09284 145.0
[M+CH3COO]- 202.10849 141.4
[M+Na-2H]- 164.06931 136.6
[M]+ 143.09409 122.6
[M]- 143.09519 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