CID 11528433

3,7-dioxa-9-azabicyclo[3.3.1]nonane

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1C2COCC(N2)CO1
InChI
InChI=1S/C6H11NO2/c1-5-2-9-4-6(7-5)3-8-1/h5-7H,1-4H2
InChIKey
NHUACECKDDIIEA-UHFFFAOYSA-N
Compound name
3,7-dioxa-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

443
Patents

129.07898 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 123.3
[M+Na]+ 152.068198 128.3
[M-H]- 128.071704 123.8
[M+NH4]+ 147.112803 141.9
[M+K]+ 168.042138 129.3
[M+H-H2O]+ 112.076240 117.4
[M+HCOO]- 174.077181 137.0
[M+CH3COO]- 188.092831 135.4
[M+Na-2H]- 150.053646 133.5
[M]+ 129.07843142 118.5
[M]- 129.07952858 118.5
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