CID 132364007

2155854-83-2

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC23C1(CNC2)COC3
InChI
InChI=1S/C8H13NO/c1-2-8-4-9-3-7(1,8)5-10-6-8/h9H,1-6H2
InChIKey
LLAPRJPLHRPUPR-UHFFFAOYSA-N
Compound name
3-oxa-7-azatricyclo[3.3.2.01,5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 124.1
[M+Na]+ 162.088938 129.5
[M-H]- 138.092444 128.8
[M+NH4]+ 157.133543 143.9
[M+K]+ 178.062878 131.1
[M+H-H2O]+ 122.096980 115.8
[M+HCOO]- 184.097921 141.7
[M+CH3COO]- 198.113571 137.2
[M+Na-2H]- 160.074386 130.9
[M]+ 139.09917142 128.4
[M]- 139.10026858 128.4
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.