CID 135392146

2411312-48-4

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC2(CCC1OC2)N
InChI
InChI=1S/C7H13NO/c8-7-3-1-6(2-4-7)9-5-7/h6H,1-5,8H2
InChIKey
RMGNOCMBJZNUHH-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.2.2]octan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 123.5
[M+Na]+ 150.088938 128.2
[M-H]- 126.092444 120.7
[M+NH4]+ 145.133543 150.1
[M+K]+ 166.062878 127.8
[M+H-H2O]+ 110.096980 119.3
[M+HCOO]- 172.097921 136.1
[M+CH3COO]- 186.113571 135.4
[M+Na-2H]- 148.074386 137.7
[M]+ 127.09917142 122.4
[M]- 127.10026858 122.4
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

patents stripe