CID 56962211

1-oxa-7-azaspiro[3.5]nonane

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CNCCC12CCO2
InChI
InChI=1S/C7H13NO/c1-4-8-5-2-7(1)3-6-9-7/h8H,1-6H2
InChIKey
IIHRWQXEUPZKFC-UHFFFAOYSA-N
Compound name
1-oxa-7-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

127.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 121.0
[M+Na]+ 150.088938 125.1
[M-H]- 126.092444 123.9
[M+NH4]+ 145.133543 135.3
[M+K]+ 166.062878 127.9
[M+H-H2O]+ 110.096980 110.8
[M+HCOO]- 172.097921 137.0
[M+CH3COO]- 186.113571 169.2
[M+Na-2H]- 148.074386 130.0
[M]+ 127.09917142 123.3
[M]- 127.10026858 123.3
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

patents stripe