CID 15165039

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

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1CNCC12OCCO2
InChI
InChI=1S/C6H11NO2/c1-2-7-5-6(1)8-3-4-9-6/h7H,1-5H2
InChIKey
JTOUWLZSXWMCSH-UHFFFAOYSA-N
Compound name
1,4-dioxa-7-azaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

129.07898 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 124.7
[M+Na]+ 152.068198 130.7
[M-H]- 128.071704 128.3
[M+NH4]+ 147.112803 147.2
[M+K]+ 168.042138 132.0
[M+H-H2O]+ 112.076240 119.9
[M+HCOO]- 174.077181 143.1
[M+CH3COO]- 188.092831 138.1
[M+Na-2H]- 150.053646 131.4
[M]+ 129.07843142 120.1
[M]- 129.07952858 120.1
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