CID 15235176

3-oxa-9-azabicyclo[3.3.1]nonane hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC2COCC(C1)N2
InChI
InChI=1S/C7H13NO/c1-2-6-4-9-5-7(3-1)8-6/h6-8H,1-5H2
InChIKey
DVVZRIIREIUXSR-UHFFFAOYSA-N
Compound name
3-oxa-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1387
Patents

127.09972 Da
Monoisotopic Mass

0.4
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

literature stripe

Patent stripe

patents stripe