CID 50986283

3-oxa-7-azabicyclo[3.3.1]nonane

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C2CNCC1COC2
InChI
InChI=1S/C7H13NO/c1-6-2-8-3-7(1)5-9-4-6/h6-8H,1-5H2
InChIKey
DTGDMYHJFTVULL-UHFFFAOYSA-N
Compound name
3-oxa-7-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

127.09972 Da
Monoisotopic Mass

0.1
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

literature stripe

Patent stripe

patents stripe