CID 122672019

2408959-57-7

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CNC2CC1COC2
InChI
InChI=1S/C7H13NO/c1-2-8-7-3-6(1)4-9-5-7/h6-8H,1-5H2
InChIKey
OEXOIRGCCGITRX-UHFFFAOYSA-N
Compound name
7-oxa-2-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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 124.8
[M+Na]+ 150.088938 129.3
[M-H]- 126.092444 124.5
[M+NH4]+ 145.133543 144.9
[M+K]+ 166.062878 128.7
[M+H-H2O]+ 110.096980 119.0
[M+HCOO]- 172.097921 139.0
[M+CH3COO]- 186.113571 136.6
[M+Na-2H]- 148.074386 133.7
[M]+ 127.09917142 118.3
[M]- 127.10026858 118.3
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