CID 71756628

9-ethyl-1,4-dioxa-7-azaspiro[4.4]nonane

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCC1CNCC12OCCO2
InChI
InChI=1S/C8H15NO2/c1-2-7-5-9-6-8(7)10-3-4-11-8/h7,9H,2-6H2,1H3
InChIKey
WAOSQYAZHHWOTE-UHFFFAOYSA-N
Compound name
9-ethyl-1,4-dioxa-7-azaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 133.6
[M+Na]+ 180.099498 139.7
[M-H]- 156.103004 137.2
[M+NH4]+ 175.144103 155.4
[M+K]+ 196.073438 140.4
[M+H-H2O]+ 140.107540 128.9
[M+HCOO]- 202.108481 151.3
[M+CH3COO]- 216.124131 146.6
[M+Na-2H]- 178.084946 138.6
[M]+ 157.10973142 130.1
[M]- 157.11082858 130.1
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

No patent data available for this compound.