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

17
Patents

127.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 124.8
[M+Na]+ 150.08894 129.3
[M-H]- 126.09244 124.5
[M+NH4]+ 145.13354 144.9
[M+K]+ 166.06288 128.7
[M+H-H2O]+ 110.09698 119.0
[M+HCOO]- 172.09792 139.0
[M+CH3COO]- 186.11357 136.6
[M+Na-2H]- 148.07439 133.7
[M]+ 127.09917 118.3
[M]- 127.10027 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